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

Systemtic Name: N-[4-[[7-chloranyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methoxy-phenyl]-2-methyl-benzamide Openeye Name: N-[4-[7-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxy-phenyl]-2-methyl-benzamide CAS Name: N-[4-[[7-chloro-5-[2-(4-methyl-1-piperazinyl)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]-3-methoxyphenyl]-2-methylbenzamide IUPAC Name: N-[4-[7-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxyphenyl]-2-methylbenzamide Traditional Name: N-[4-[7-chloro-5-[2-(4-methylpiperazino)ethyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methoxy-phenyl]-2-methyl-benzamide Formula: C33H39ClN4O3 MolecularWeight: 575.14076

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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)CCN5CCN(CC5)C)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)CCN5CCN(CC5)C)OC

InChI

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