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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[(4-methoxyphenyl)-oxomethyl]amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-p-anisoyl-amino]methyl]phenyl]-piperonylamide Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C5CCCCC5N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C5CCCCC5N

InChI

InChI=1S/C29H31N3O5/c1-35-23-12-9-20(10-13-23)29(34)32(25-8-3-2-7-24(25)30)17-19-5-4-6-22(15-19)31-28(33)21-11-14-26-27(16-21)37-18-36-26/h4-6,9-16,24-25H,2-3,7-8,17-18,30H2,1H3,(H,31,33)