N-(4-azanylcyclohexyl)-N-[(5-benzamido-2-chloranyl-phenyl)methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[(5-benzamido-2-chloranyl-phenyl)methyl]-3,4-dimethoxy-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[(5-benzamido-2-chloro-phenyl)methyl]-3,4-dimethoxy-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[(5-benzamido-2-chlorophenyl)methyl]-3,4-dimethoxybenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[(5-benzamido-2-chlorophenyl)methyl]-3,4-dimethoxybenzamide Traditional Name: N-(4-aminocyclohexyl)-N-(5-benzamido-2-chloro-benzyl)-3,4-dimethoxy-benzamide Formula: C29H32ClN3O4 MolecularWeight: 522.03508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32ClN3O4/c1-36-26-15-8-20(17-27(26)37-2)29(35)33(24-12-9-22(31)10-13-24)18-21-16-23(11-14-25(21)30)32-28(34)19-6-4-3-5-7-19/h3-8,11,14-17,22,24H,9-10,12-13,18,31H2,1-2H3,(H,32,34)