(E)-2-(azepan-1-ylcarbonyl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(azepan-1-ylcarbonyl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(azepane-1-carbonyl)-3-(4-benzyloxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[1-azepanyl(oxo)methyl]-3-(3-methoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(azepane-1-carbonyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(azepane-1-carbonyl)-3-(4-benzoxy-3-methoxy-phenyl)acrylonitrile Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCCCCC2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCCCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O3/c1-28-23-16-20(11-12-22(23)29-18-19-9-5-4-6-10-19)15-21(17-25)24(27)26-13-7-2-3-8-14-26/h4-6,9-12,15-16H,2-3,7-8,13-14,18H2,1H3/b21-15+