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

Systemtic Name: N-[4-[[7-chloranyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methoxy-phenyl]-2-methyl-benzamide dihydrochloride Openeye Name: N-[4-[7-chloro-2-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxy-phenyl]-2-methyl-benzamide dihydrochloride CAS Name: N-[4-[[7-chloro-2-[2-(4-methyl-1-piperazinyl)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]-3-methoxyphenyl]-2-methylbenzamide dihydrochloride IUPAC Name: N-[4-[7-chloro-2-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxyphenyl]-2-methylbenzamide dihydrochloride Traditional Name: N-[4-[7-chloro-2-[2-(4-methylpiperazino)ethyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxy-phenyl]-2-methyl-benzamide dihydrochloride Formula: C33H41Cl3N4O3 MolecularWeight: 648.06264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3C(CCCC4=C3C=CC(=C4)Cl)CCN5CCN(CC5)C)OC.Cl.Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3C(CCCC4=C3C=CC(=C4)Cl)CCN5CCN(CC5)C)OC.Cl.Cl

InChI

InChI=1S/C33H39ClN4O3.2ClH/c1-23-7-4-5-10-28(23)32(39)35-26-12-13-29(31(22-26)41-3)33(40)38-27(15-16-37-19-17-36(2)18-20-37)9-6-8-24-21-25(34)11-14-30(24)38;;/h4-5,7,10-14,21-22,27H,6,8-9,15-20H2,1-3H3,(H,35,39);2*1H