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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-chlorophenyl)carbonylpiperidin-4-yl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-chlorobenzoyl)-4-piperidyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-(4-chlorobenzoyl)-4-piperidyl]-6-methyl-N-piperonyl-nicotinamide Formula: C27H26ClN3O4 MolecularWeight: 491.96604

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN3O4/c1-17-2-8-22(26(32)29-15-18-3-9-23-24(14-18)35-16-34-23)25(30-17)19-10-12-31(13-11-19)27(33)20-4-6-21(28)7-5-20/h2-9,14,19H,10-13,15-16H2,1H3,(H,29,32)