N-[4-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-piperonylamide Formula: C29H28N4O4 MolecularWeight: 496.55702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H28N4O4/c30-16-19-1-5-21(6-2-19)29(35)33(25-12-8-23(31)9-13-25)17-20-3-10-24(11-4-20)32-28(34)22-7-14-26-27(15-22)37-18-36-26/h1-7,10-11,14-15,23,25H,8-9,12-13,17-18,31H2,(H,32,34)