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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-[1-(4-nitrophenyl)carbonylpiperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-[1-(4-nitrobenzoyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-[1-[(4-nitrophenyl)-oxomethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-[1-(4-nitrobenzoyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: 6-methyl-2-[1-(4-nitrobenzoyl)-4-piperidyl]-N-piperonyl-nicotinamide Formula: C27H26N4O6 MolecularWeight: 502.51854

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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)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C4CCN(CC4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O6/c1-17-2-8-22(26(32)28-15-18-3-9-23-24(14-18)37-16-36-23)25(29-17)19-10-12-30(13-11-19)27(33)20-4-6-21(7-5-20)31(34)35/h2-9,14,19H,10-13,15-16H2,1H3,(H,28,32)