N-[4-[[7-chloranyl-5-(2-oxidanylidene-2-piperazin-1-yl-ethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methyl-phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[[7-chloranyl-5-(2-oxidanylidene-2-piperazin-1-yl-ethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methyl-phenyl]-2-methyl-benzamide Openeye Name: N-[4-[7-chloro-5-(2-oxo-2-piperazin-1-yl-ethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]-2-methyl-benzamide CAS Name: N-[4-[[7-chloro-5-[2-oxo-2-(1-piperazinyl)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]-3-methylphenyl]-2-methylbenzamide IUPAC Name: N-[4-[7-chloro-5-(2-oxo-2-piperazin-1-ylethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide Traditional Name: N-[4-[7-chloro-5-(2-keto-2-piperazino-ethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]-2-methyl-benzamide Formula: C32H35ClN4O3 MolecularWeight: 559.0983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)CC(=O)N5CCNCC5)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)CC(=O)N5CCNCC5)C

InChI

InChI=1S/C32H35ClN4O3/c1-21-6-3-4-8-26(21)31(39)35-25-10-11-27(22(2)18-25)32(40)37-15-5-7-23(28-20-24(33)9-12-29(28)37)19-30(38)36-16-13-34-14-17-36/h3-4,6,8-12,18,20,23,34H,5,7,13-17,19H2,1-2H3,(H,35,39)