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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[(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(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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