7-bromanyl-N-cyclohexyl-4-[(4-dimethylaminophenyl)methyl]-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide

Systemtic Name: 7-bromanyl-N-cyclohexyl-4-[(4-dimethylaminophenyl)methyl]-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide Openeye Name: 7-bromo-N-cyclohexyl-4-[(4-dimethylaminophenyl)methyl]-2-isopropyl-9-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carboxamide CAS Name: 7-bromo-N-cyclohexyl-4-[(4-dimethylaminophenyl)methyl]-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide IUPAC Name: 7-bromo-N-cyclohexyl-4-[(4-dimethylaminophenyl)methyl]-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxamide Traditional Name: 7-bromo-N-cyclohexyl-4-[4-(dimethylamino)benzyl]-2-isopropyl-3-keto-9-methoxy-5H-1,4-benzoxazepine-5-carboxamide Formula: C29H38BrN3O4 MolecularWeight: 572.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)NC3CCCCC3)CC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)NC3CCCCC3)CC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C29H38BrN3O4/c1-18(2)26-29(35)33(17-19-11-13-22(14-12-19)32(3)4)25(28(34)31-21-9-7-6-8-10-21)23-15-20(30)16-24(36-5)27(23)37-26/h11-16,18,21,25-26H,6-10,17H2,1-5H3,(H,31,34)