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

Systemtic Name: (E)-2-(azepan-1-ylcarbonyl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(azepane-1-carbonyl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[1-azepanyl(oxo)methyl]-3-(4-hexoxy-3-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(azepane-1-carbonyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(azepane-1-carbonyl)-3-(4-hexoxy-3-methoxy-phenyl)acrylonitrile Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)N2CCCCCC2)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)N2CCCCCC2)OC

InChI

InChI=1S/C23H32N2O3/c1-3-4-5-10-15-28-21-12-11-19(17-22(21)27-2)16-20(18-24)23(26)25-13-8-6-7-9-14-25/h11-12,16-17H,3-10,13-15H2,1-2H3/b20-16+