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

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-piperonylamide Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5

InChI

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