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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-[(4-cyanophenyl)carbonylamino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-[(4-cyanobenzoyl)amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-[[(4-cyanophenyl)-oxomethyl]amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-[(4-cyanobenzoyl)amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-[(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=C2NC(=O)C3=CC=C(C=C3)C#N)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C#N)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H28N4O4/c30-16-19-5-7-20(8-6-19)28(34)32-25-4-2-1-3-22(25)17-33(24-12-10-23(31)11-13-24)29(35)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)