2-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanenitrile

Systemtic Name: 2-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanenitrile Openeye Name: 2-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)acetonitrile CAS Name: 2-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)acetonitrile IUPAC Name: 2-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)acetonitrile Traditional Name: 2-(1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)acetonitrile Formula: C15H21N3O2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)N2CCCNCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)N2CCCNCC2)OC

InChI

InChI=1S/C15H21N3O2/c1-19-14-5-4-12(10-15(14)20-2)13(11-16)18-8-3-6-17-7-9-18/h4-5,10,13,17H,3,6-9H2,1-2H3