N-cyclopropyl-4-[(E)-3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-prop-1-enyl]benzamide

Systemtic Name: N-cyclopropyl-4-[(E)-3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-prop-1-enyl]benzamide Openeye Name: N-cyclopropyl-4-[(E)-3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-prop-1-enyl]benzamide CAS Name: N-cyclopropyl-4-[(E)-3-[2-(4-methoxyphenyl)-1-azepanyl]-3-oxoprop-1-enyl]benzamide IUPAC Name: N-cyclopropyl-4-[(E)-3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxoprop-1-enyl]benzamide Traditional Name: N-cyclopropyl-4-[(E)-3-keto-3-[2-(4-methoxyphenyl)azepan-1-yl]prop-1-enyl]benzamide Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C=CC3=CC=C(C=C3)C(=O)NC4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4CC4

InChI

InChI=1S/C26H30N2O3/c1-31-23-15-11-20(12-16-23)24-5-3-2-4-18-28(24)25(29)17-8-19-6-9-21(10-7-19)26(30)27-22-13-14-22/h6-12,15-17,22,24H,2-5,13-14,18H2,1H3,(H,27,30)/b17-8+