N-[2-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-piperonylamide Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)C#N

InChI

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