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BRN 1584577,1-Piperidinevaleronitrile, alpha-1-naphthyl-,LS-94426,alph

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摘 要:BRN 1584577,1-Piperidinevaleronitrile, alpha-1-naphthyl-,LS-94426,alpha-(3-Piperidinopropyl)-1-naphthaleneacetonitrile,5-20-03-00084 (Beilstein Handbook Reference),1-NAPHTHALENEACETONITRILE, alpha-(3-PIPERIDINOPROPYL)-,13326-35-7, 2-naphthalen-1-yl-5
[Synonyms]
BRN 1584577
1-Piperidinevaleronitrile, alpha-1-naphthyl-
LS-94426
alpha-(3-Piperidinopropyl)-1-naphthaleneacetonitrile
5-20-03-00084 (Beilstein Handbook Reference)
1-NAPHTHALENEACETONITRILE, alpha-(3-PIPERIDINOPROPYL)-
13326-35-7

[Structure]
BRN 1584577,1-Piperidinevaleronitrile, alpha-1-naphthyl-,LS-94426,alph

[ Properties Computed from Structure]
Molecular Weight292.41796 [g/mol]
Molecular FormulaC20H24N2
XLogP4.1
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count5
Exact Mass292.193949
MonoIsotopic Mass292.193949
Topological Polar Surface Area27
Heavy Atom Count22
Formal Charge0
Complexity376
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-ylpentanenitrile
Canonical SMILES: C1CCN(CC1)CCCC(C#N)C2=CC=CC3=CC=CC=C32
InChI: InChI=1/C20H24N2/c21-16-18(10-7-15-22-13-4-1-5-14-22)20-12-6-9-17-8-2-3-
11-19(17)20/h2-3,6,8-9,11-12,18H,1,4-5,7,10,13-15H2

 
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