2-chloranyl-N-[4-[[7-chloranyl-5-[2-(4-ethanoylpiperazin-1-yl)ethyl]-2,3-dihydro-1-benzazepin-1-yl]carbonyl]-3-methoxy-phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[4-[[7-chloranyl-5-[2-(4-ethanoylpiperazin-1-yl)ethyl]-2,3-dihydro-1-benzazepin-1-yl]carbonyl]-3-methoxy-phenyl]benzamide Openeye Name: N-[4-[5-[2-(4-acetylpiperazin-1-yl)ethyl]-7-chloro-2,3-dihydro-1-benzazepine-1-carbonyl]-3-methoxy-phenyl]-2-chloro-benzamide CAS Name: N-[4-[[5-[2-(4-acetyl-1-piperazinyl)ethyl]-7-chloro-2,3-dihydro-1-benzazepin-1-yl]-oxomethyl]-3-methoxyphenyl]-2-chlorobenzamide IUPAC Name: N-[4-[5-[2-(4-acetylpiperazin-1-yl)ethyl]-7-chloro-2,3-dihydro-1-benzazepine-1-carbonyl]-3-methoxyphenyl]-2-chlorobenzamide Traditional Name: N-[4-[5-[2-(4-acetylpiperazino)ethyl]-7-chloro-2,3-dihydro-1-benzazepine-1-carbonyl]-3-methoxy-phenyl]-2-chloro-benzamide Formula: C33H34Cl2N4O4 MolecularWeight: 621.55346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CCC2=CCCN(C3=C2C=C(C=C3)Cl)C(=O)C4=C(C=C(C=C4)NC(=O)C5=CC=CC=C5Cl)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)CCC2=CCCN(C3=C2C=C(C=C3)Cl)C(=O)C4=C(C=C(C=C4)NC(=O)C5=CC=CC=C5Cl)OC

InChI

InChI=1S/C33H34Cl2N4O4/c1-22(40)38-18-16-37(17-19-38)15-13-23-6-5-14-39(30-12-9-24(34)20-28(23)30)33(42)27-11-10-25(21-31(27)43-2)36-32(41)26-7-3-4-8-29(26)35/h3-4,6-12,20-21H,5,13-19H2,1-2H3,(H,36,41)