N-[3-(2-methylpyrimidin-4-yl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-1-(2-nitrophenyl)isonipecotamide Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O3/c1-16-24-12-9-20(25-16)18-5-4-6-19(15-18)26-23(29)17-10-13-27(14-11-17)21-7-2-3-8-22(21)28(30)31/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,26,29)