2-(8-chloranyl-1-methyl-2-oxidanylidene-3H-1-benzazepin-5-yl)-N-[3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl]ethanamide

Systemtic Name: 2-(8-chloranyl-1-methyl-2-oxidanylidene-3H-1-benzazepin-5-yl)-N-[3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl]ethanamide Openeye Name: 2-(8-chloro-1-methyl-2-oxo-3H-1-benzazepin-5-yl)-N-[3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]acetamide CAS Name: 2-(8-chloro-1-methyl-2-oxo-3H-1-benzazepin-5-yl)-N-[3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]acetamide IUPAC Name: 2-(8-chloro-1-methyl-2-oxo-3H-1-benzazepin-5-yl)-N-[3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]acetamide Traditional Name: 2-(8-chloro-2-keto-1-methyl-3H-1-benzazepin-5-yl)-N-[3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]acetamide Formula: C29H36ClN3O4 MolecularWeight: 526.06684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC=C(C2=C1C=C(C=C2)Cl)CC(=O)NC3CCC(C(C3)CN(C)C)(C4=CC(=CC=C4)OC)O

Isomeric SMILES

CN1C(=O)CC=C(C2=C1C=C(C=C2)Cl)CC(=O)NC3CCC(C(C3)CN(C)C)(C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C29H36ClN3O4/c1-32(2)18-21-15-23(12-13-29(21,36)20-6-5-7-24(16-20)37-4)31-27(34)14-19-8-11-28(35)33(3)26-17-22(30)9-10-25(19)26/h5-10,16-17,21,23,36H,11-15,18H2,1-4H3,(H,31,34)