2-[2-(1,4-diazepan-1-yl)ethyl]-3-methyl-2-phenyl-butanenitrile

Systemtic Name: 2-[2-(1,4-diazepan-1-yl)ethyl]-3-methyl-2-phenyl-butanenitrile Openeye Name: 2-[2-(1,4-diazepan-1-yl)ethyl]-3-methyl-2-phenyl-butanenitrile CAS Name: 2-[2-(1,4-diazepan-1-yl)ethyl]-3-methyl-2-phenylbutanenitrile IUPAC Name: 2-[2-(1,4-diazepan-1-yl)ethyl]-3-methyl-2-phenylbutanenitrile Traditional Name: 2-[2-(1,4-diazepan-1-yl)ethyl]-3-methyl-2-phenyl-butyronitrile Formula: C18H27N3 MolecularWeight: 285.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCN1CCCNCC1)(C#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(CCN1CCCNCC1)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C18H27N3/c1-16(2)18(15-19,17-7-4-3-5-8-17)9-13-21-12-6-10-20-11-14-21/h3-5,7-8,16,20H,6,9-14H2,1-2H3