N-(4-azanylcyclohexyl)-N-[[3-[(2-bromophenyl)carbonylamino]phenyl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[(2-bromophenyl)carbonylamino]phenyl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[(2-bromobenzoyl)amino]phenyl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[[(2-bromophenyl)-oxomethyl]amino]phenyl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[(2-bromobenzoyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[(2-bromobenzoyl)amino]benzyl]-3,4-dimethoxy-benzamide Formula: C29H32BrN3O4 MolecularWeight: 566.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C4CCC(CC4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C4CCC(CC4)N)OC

InChI

InChI=1S/C29H32BrN3O4/c1-36-26-15-10-20(17-27(26)37-2)29(35)33(23-13-11-21(31)12-14-23)18-19-6-5-7-22(16-19)32-28(34)24-8-3-4-9-25(24)30/h3-10,15-17,21,23H,11-14,18,31H2,1-2H3,(H,32,34)