N-(1,3-benzodioxol-5-yl)-1-[2-[cyclopropylcarbonyl(methyl)amino]phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-[cyclopropylcarbonyl(methyl)amino]phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-[[cyclopropyl(oxo)methyl]-methylamino]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]isonipecotamide Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)C5CC5

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)C5CC5

InChI

InChI=1S/C25H27N3O5/c1-27(24(30)17-6-7-17)20-5-3-2-4-19(20)25(31)28-12-10-16(11-13-28)23(29)26-18-8-9-21-22(14-18)33-15-32-21/h2-5,8-9,14,16-17H,6-7,10-13,15H2,1H3,(H,26,29)