N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-fluorophenyl)carbonylpiperidin-4-yl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-fluorophenyl)carbonylpiperidin-4-yl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-fluorobenzoyl)-4-piperidyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(3-fluorophenyl)-oxomethyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-(3-fluorobenzoyl)-4-piperidyl]-6-methyl-N-piperonyl-nicotinamide Formula: C27H26FN3O4 MolecularWeight: 475.511443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C4CCN(CC4)C(=O)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C4CCN(CC4)C(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H26FN3O4/c1-17-5-7-22(26(32)29-15-18-6-8-23-24(13-18)35-16-34-23)25(30-17)19-9-11-31(12-10-19)27(33)20-3-2-4-21(28)14-20/h2-8,13-14,19H,9-12,15-16H2,1H3,(H,29,32)