2-(azepan-1-yl)-2-[4-(3-methylbutoxy)phenyl]ethanenitrile

Systemtic Name: 2-(azepan-1-yl)-2-[4-(3-methylbutoxy)phenyl]ethanenitrile Openeye Name: 2-(azepan-1-yl)-2-(4-isopentyloxyphenyl)acetonitrile CAS Name: 2-(1-azepanyl)-2-[4-(3-methylbutoxy)phenyl]acetonitrile IUPAC Name: 2-(azepan-1-yl)-2-[4-(3-methylbutoxy)phenyl]acetonitrile Traditional Name: 2-(azepan-1-yl)-2-(4-isoamoxyphenyl)acetonitrile Formula: C19H28N2O MolecularWeight: 300.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(C#N)N2CCCCCC2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(C#N)N2CCCCCC2

InChI

InChI=1S/C19H28N2O/c1-16(2)11-14-22-18-9-7-17(8-10-18)19(15-20)21-12-5-3-4-6-13-21/h7-10,16,19H,3-6,11-14H2,1-2H3