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

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[[(4-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-piperonylamide Formula: C28H29N3O4 MolecularWeight: 471.54756

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O4/c29-22-9-13-24(14-10-22)31(28(33)20-4-2-1-3-5-20)17-19-6-11-23(12-7-19)30-27(32)21-8-15-25-26(16-21)35-18-34-25/h1-8,11-12,15-16,22,24H,9-10,13-14,17-18,29H2,(H,30,32)