1-[[3-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide

Systemtic Name: 1-[[3-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide Openeye Name: 1-[[3-[2-(3-nitroanilino)pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide CAS Name: 1-[[3-[2-(3-nitroanilino)-4-pyrimidinyl]phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-[[3-[2-(3-nitroanilino)pyrimidin-4-yl]phenyl]methyl]piperidine-3-carboxamide Traditional Name: 1-[3-[2-(3-nitroanilino)pyrimidin-4-yl]benzyl]nipecotamide Formula: C23H24N6O3 MolecularWeight: 432.47506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C23H24N6O3/c24-22(30)18-6-3-11-28(15-18)14-16-4-1-5-17(12-16)21-9-10-25-23(27-21)26-19-7-2-8-20(13-19)29(31)32/h1-2,4-5,7-10,12-13,18H,3,6,11,14-15H2,(H2,24,30)(H,25,26,27)