3-[(4-methylphenyl)carbonylamino]-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyrazine-2-carboxamide

Systemtic Name: 3-[(4-methylphenyl)carbonylamino]-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyrazine-2-carboxamide Openeye Name: 3-[(4-methylbenzoyl)amino]-N-[1-[(2-nitrophenyl)methyl]-4-piperidyl]pyrazine-2-carboxamide CAS Name: 3-[[(4-methylphenyl)-oxomethyl]amino]-N-[1-[(2-nitrophenyl)methyl]-4-piperidinyl]-2-pyrazinecarboxamide IUPAC Name: 3-[(4-methylbenzoyl)amino]-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]pyrazine-2-carboxamide Traditional Name: N-[1-(2-nitrobenzyl)-4-piperidyl]-3-(p-toluoylamino)pyrazinamide Formula: C25H26N6O4 MolecularWeight: 474.51174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC=CN=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NC=CN=C2C(=O)NC3CCN(CC3)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H26N6O4/c1-17-6-8-18(9-7-17)24(32)29-23-22(26-12-13-27-23)25(33)28-20-10-14-30(15-11-20)16-19-4-2-3-5-21(19)31(34)35/h2-9,12-13,20H,10-11,14-16H2,1H3,(H,28,33)(H,27,29,32)