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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-piperonylamide Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C5CCCCC5N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C5CCCCC5N

InChI

InChI=1S/C28H35N3O4/c29-23-11-4-5-12-24(23)31(28(33)20-8-2-1-3-9-20)17-19-7-6-10-22(15-19)30-27(32)21-13-14-25-26(16-21)35-18-34-25/h6-7,10,13-16,20,23-24H,1-5,8-9,11-12,17-18,29H2,(H,30,32)