N-[(E)-3-(azepan-1-yl)-1-(4-chlorophenyl)-3-oxidanylidene-prop-1-en-2-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(E)-3-(azepan-1-yl)-1-(4-chlorophenyl)-3-oxidanylidene-prop-1-en-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[(E)-1-(azepane-1-carbonyl)-2-(4-chlorophenyl)vinyl]-3,4-dimethoxy-benzamide CAS Name: N-[(E)-3-(1-azepanyl)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[(E)-3-(azepan-1-yl)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[(E)-1-(azepane-1-carbonyl)-2-(4-chlorophenyl)vinyl]-3,4-dimethoxy-benzamide Formula: C24H27ClN2O4 MolecularWeight: 442.93518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Cl)C(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H27ClN2O4/c1-30-21-12-9-18(16-22(21)31-2)23(28)26-20(15-17-7-10-19(25)11-8-17)24(29)27-13-5-3-4-6-14-27/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,26,28)/b20-15+