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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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