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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-methylphenyl)carbonylpiperidin-4-yl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-methylbenzoyl)-4-piperidyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[1-[(4-methylphenyl)-oxomethyl]-4-piperidinyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide Traditional Name: N-piperonyl-1-(1-p-toluoyl-4-piperidyl)isonipecotamide Formula: C27H33N3O4 MolecularWeight: 463.56862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H33N3O4/c1-19-2-5-22(6-3-19)27(32)30-14-10-23(11-15-30)29-12-8-21(9-13-29)26(31)28-17-20-4-7-24-25(16-20)34-18-33-24/h2-7,16,21,23H,8-15,17-18H2,1H3,(H,28,31)