N3-(1,3-benzodioxol-5-ylmethyl)-N1-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide

Systemtic Name: N3-(1,3-benzodioxol-5-ylmethyl)-N1-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide Openeye Name: N3-(1,3-benzodioxol-5-ylmethyl)-N1-butyl-6-(m-tolyl)piperidine-1,3-dicarboxamide CAS Name: N3-(1,3-benzodioxol-5-ylmethyl)-N1-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide IUPAC Name: 3-N-(1,3-benzodioxol-5-ylmethyl)-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide Traditional Name: N-butyl-6-(m-tolyl)-N'-piperonyl-piperidine-1,3-dicarboxamide Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC(CCC1C2=CC(=CC=C2)C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCNC(=O)N1CC(CCC1C2=CC(=CC=C2)C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H33N3O4/c1-3-4-12-27-26(31)29-16-21(9-10-22(29)20-7-5-6-18(2)13-20)25(30)28-15-19-8-11-23-24(14-19)33-17-32-23/h5-8,11,13-14,21-22H,3-4,9-10,12,15-17H2,1-2H3,(H,27,31)(H,28,30)