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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-[(4-nitrophenyl)carbonylamino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-[(4-nitrobenzoyl)amino]benzyl]-piperonylamide Formula: C28H28N4O6 MolecularWeight: 516.54512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H28N4O6/c29-21-7-11-23(12-8-21)31(28(34)20-6-13-25-26(15-20)38-17-37-25)16-18-2-1-3-22(14-18)30-27(33)19-4-9-24(10-5-19)32(35)36/h1-6,9-10,13-15,21,23H,7-8,11-12,16-17,29H2,(H,30,33)