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

Systemtic Name: N-[2-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[(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=C2NC(=O)C3=CC4=C(C=C3)OCO4)C5CCCCC5N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCO4)C5CCCCC5N

InChI

InChI=1S/C28H35N3O4/c29-22-11-5-7-13-24(22)31(28(33)19-8-2-1-3-9-19)17-21-10-4-6-12-23(21)30-27(32)20-14-15-25-26(16-20)35-18-34-25/h4,6,10,12,14-16,19,22,24H,1-3,5,7-9,11,13,17-18,29H2,(H,30,32)