N-[3-[[(4-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-3,4-dimethoxy-benzamide Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CN(C3CCC(CC3)N)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CN(C3CCC(CC3)N)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C29H33N3O4/c1-35-26-16-11-22(18-27(26)36-2)28(33)31-24-10-6-7-20(17-24)19-32(25-14-12-23(30)13-15-25)29(34)21-8-4-3-5-9-21/h3-11,16-18,23,25H,12-15,19,30H2,1-2H3,(H,31,33)