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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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