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BRN 1594698,LS-94419,5-20-03-00086 (Beilstein Handbook Reference),1-Pi

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摘 要:BRN 1594698,LS-94419,5-20-03-00086 (Beilstein Handbook Reference),1-Piperidinevaleronitrile, alpha-isopropyl-alpha-1-naphthyl-,alpha-Isopropyl-alpha-(3-piperidinopropyl)-1-naphthaleneacetonitrile,1-NAPHTHALENEACETONITRILE, alpha-ISOPROPYL-alpha-(3-PI
[Synonyms]
BRN 1594698
LS-94419
5-20-03-00086 (Beilstein Handbook Reference)
1-Piperidinevaleronitrile, alpha-isopropyl-alpha-1-naphthyl-
alpha-Isopropyl-alpha-(3-piperidinopropyl)-1-naphthaleneacetonitrile
1-NAPHTHALENEACETONITRILE, alpha-ISOPROPYL-alpha-(3-PIPERIDINOPROPYL)-
13326-36-8

[Structure]
BRN 1594698,LS-94419,5-20-03-00086 (Beilstein Handbook Reference),1-Pi

[ Properties Computed from Structure]
Molecular Weight334.4977 [g/mol]
Molecular FormulaC23H30N2
XLogP5.8
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count6
Exact Mass334.240899
MonoIsotopic Mass334.240899
Topological Polar Surface Area27
Heavy Atom Count25
Formal Charge0
Complexity456
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-naphthalen-1-yl-5-piperidin-1-yl-2-propan-2-ylpentanenitrile
Canonical SMILES: CC(C)C(CCCN1CCCCC1)(C#N)C2=CC=CC3=CC=CC=C32
InChI: InChI=1/C23H30N2/c1-19(2)23(18-24,
14-9-17-25-15-6-3-7-16-25)22-13-8-11-20-10-4-5-12-21(20)22/h4-5,8,10-13,
19H,3,6-7,9,14-17H2,1-2H3

 
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