N-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethylphenyl)-1-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethylphenyl)-1-(phenylmethyl)piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-6-(4-ethylphenyl)piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethylphenyl)-1-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-6-(4-ethylphenyl)piperidine-3-carboxamide Traditional Name: 1-benzyl-6-(4-ethylphenyl)-N-piperonyl-nipecotamide Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CCC(CN2CC3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)C2CCC(CN2CC3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H32N2O3/c1-2-21-8-11-24(12-9-21)26-14-13-25(19-31(26)18-22-6-4-3-5-7-22)29(32)30-17-23-10-15-27-28(16-23)34-20-33-27/h3-12,15-16,25-26H,2,13-14,17-20H2,1H3,(H,30,32)