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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)C4=CC5=C(C=C4)OCO5

InChI

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