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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC(C(C1C2=CCC(=O)N(C3=C2C=CC(=C3)Cl)C)CN(C)C)(C4=CC(=CC=C4)OC)O

Isomeric SMILES

CC(=O)NC1CCC(C(C1C2=CCC(=O)N(C3=C2C=CC(=C3)Cl)C)CN(C)C)(C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C29H36ClN3O4/c1-18(34)31-25-13-14-29(36,19-7-6-8-21(15-19)37-5)24(17-32(2)3)28(25)23-11-12-27(35)33(4)26-16-20(30)9-10-22(23)26/h6-11,15-16,24-25,28,36H,12-14,17H2,1-5H3,(H,31,34)