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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2CN(C3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2CN(C3CCC(CC3)N)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H31N3O5/c1-35-24-7-4-6-19(15-24)28(33)31-25-8-3-2-5-21(25)17-32(23-12-10-22(30)11-13-23)29(34)20-9-14-26-27(16-20)37-18-36-26/h2-9,14-16,22-23H,10-13,17-18,30H2,1H3,(H,31,33)