1-(3-methyl-2-nitro-phenyl)carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(3-methyl-2-nitro-phenyl)carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(3-methyl-2-nitro-benzoyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[(3-methyl-2-nitrophenyl)-oxomethyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-methyl-2-nitrobenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(3-methyl-2-nitro-benzoyl)-N-(3-pyridylmethyl)isonipecotamide Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H22N4O4/c1-14-4-2-6-17(18(14)24(27)28)20(26)23-10-7-16(8-11-23)19(25)22-13-15-5-3-9-21-12-15/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,22,25)