N-(1,3-benzodioxol-5-ylmethyl)-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[[1-(p-tolylmethyl)indol-2-yl]methyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[[1-[(4-methylphenyl)methyl]-2-indolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-[[1-(4-methylbenzyl)indol-2-yl]methyl]-N-piperonyl-isonipecotamide Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2CN4CCC(CC4)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2CN4CCC(CC4)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H33N3O3/c1-22-6-8-23(9-7-22)19-34-27(17-26-4-2-3-5-28(26)34)20-33-14-12-25(13-15-33)31(35)32-18-24-10-11-29-30(16-24)37-21-36-29/h2-11,16-17,25H,12-15,18-21H2,1H3,(H,32,35)