N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-pentylphenyl)carbonylpiperidin-4-yl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-pentylphenyl)carbonylpiperidin-4-yl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-pentylbenzoyl)-4-piperidyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[1-[oxo-(4-pentylphenyl)methyl]-4-piperidinyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide Traditional Name: 1-[1-(4-amylbenzoyl)-4-piperidyl]-N-piperonyl-isonipecotamide Formula: C31H41N3O4 MolecularWeight: 519.67494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H41N3O4/c1-2-3-4-5-23-6-9-26(10-7-23)31(36)34-18-14-27(15-19-34)33-16-12-25(13-17-33)30(35)32-21-24-8-11-28-29(20-24)38-22-37-28/h6-11,20,25,27H,2-5,12-19,21-22H2,1H3,(H,32,35)