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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxy-benzamide Formula: C26H33N3O4 MolecularWeight: 451.55792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CN(C3CCC(CC3)N)C(=O)C4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CN(C3CCC(CC3)N)C(=O)C4CC4)OC

InChI

InChI=1S/C26H33N3O4/c1-32-23-13-8-19(15-24(23)33-2)25(30)28-21-5-3-4-17(14-21)16-29(26(31)18-6-7-18)22-11-9-20(27)10-12-22/h3-5,8,13-15,18,20,22H,6-7,9-12,16,27H2,1-2H3,(H,28,30)