N-[(Z)-3-(azepan-1-yl)-1-(4-chlorophenyl)-3-oxidanylidene-prop-1-en-2-yl]-3-bromanyl-benzamide

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-1-(4-chlorophenyl)-3-oxidanylidene-prop-1-en-2-yl]-3-bromanyl-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(4-chlorophenyl)vinyl]-3-bromo-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(4-chlorophenyl)vinyl]-3-bromo-benzamide Formula: C22H22BrClN2O2 MolecularWeight: 461.77928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)Cl)/NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H22BrClN2O2/c23-18-7-5-6-17(15-18)21(27)25-20(14-16-8-10-19(24)11-9-16)22(28)26-12-3-1-2-4-13-26/h5-11,14-15H,1-4,12-13H2,(H,25,27)/b20-14-