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BRN 1137002,4-Morpholinevaleronitrile, alpha-1-naphthyl-,LS-94424,alph

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摘 要:BRN 1137002,4-Morpholinevaleronitrile, alpha-1-naphthyl-,LS-94424,alpha-(3-Morpholinopropyl)-1-naphthaleneacetonitrile,1-NAPHTHALENEACETONITRILE, alpha-(3-(MORPHOLINO)PROPYL)-,13326-37-9, 5-morpholin-4-yl-2-naphthalen-1-ylpentanenitrile,Canonical SMI
[Synonyms]
BRN 1137002
4-Morpholinevaleronitrile, alpha-1-naphthyl-
LS-94424
alpha-(3-Morpholinopropyl)-1-naphthaleneacetonitrile
1-NAPHTHALENEACETONITRILE, alpha-(3-(MORPHOLINO)PROPYL)-
13326-37-9

[Structure]
BRN 1137002,4-Morpholinevaleronitrile, alpha-1-naphthyl-,LS-94424,alph

[ Properties Computed from Structure]
Molecular Weight294.39078 [g/mol]
Molecular FormulaC19H22N2O
XLogP2.8
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count5
Exact Mass294.173213
MonoIsotopic Mass294.173213
Topological Polar Surface Area36.3
Heavy Atom Count22
Formal Charge0
Complexity382
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: 5-morpholin-4-yl-2-naphthalen-1-ylpentanenitrile
Canonical SMILES: C1COCCN1CCCC(C#N)C2=CC=CC3=CC=CC=C32
InChI: InChI=1/C19H22N2O/c20-15-17(7-4-10-21-11-13-22-14-12-21)19-9-3-6-16-5-1-
2-8-18(16)19/h1-3,5-6,8-9,17H,4,7,10-14H2

 
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