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

Systemtic Name: 2-chloranyl-N-[4-[[7-chloranyl-5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methoxy-phenyl]benzamide Openeye Name: 2-chloro-N-[4-[7-chloro-5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-ethyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxy-phenyl]benzamide CAS Name: 2-chloro-N-[4-[[7-chloro-5-[2-[4-(2-hydroxyethyl)-1-piperazinyl]-2-oxoethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]-3-methoxyphenyl]benzamide IUPAC Name: 2-chloro-N-[4-[7-chloro-5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxyphenyl]benzamide Traditional Name: 2-chloro-N-[4-[7-chloro-5-[2-[4-(2-hydroxyethyl)piperazino]-2-keto-ethyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxy-phenyl]benzamide Formula: C33H36Cl2N4O5 MolecularWeight: 639.56874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2Cl)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)CC(=O)N5CCN(CC5)CCO

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2Cl)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)CC(=O)N5CCN(CC5)CCO

InChI

InChI=1S/C33H36Cl2N4O5/c1-44-30-21-24(36-32(42)25-6-2-3-7-28(25)35)9-10-26(30)33(43)39-12-4-5-22(27-20-23(34)8-11-29(27)39)19-31(41)38-15-13-37(14-16-38)17-18-40/h2-3,6-11,20-22,40H,4-5,12-19H2,1H3,(H,36,42)