4-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one

Systemtic Name: 4-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one Openeye Name: 4-[2-(3-nitroanilino)pyrimidin-4-yl]-3-phenyl-piperazin-2-one CAS Name: 4-[2-(3-nitroanilino)-4-pyrimidinyl]-3-phenyl-2-piperazinone IUPAC Name: 4-[2-(3-nitroanilino)pyrimidin-4-yl]-3-phenylpiperazin-2-one Traditional Name: 4-[2-(3-nitroanilino)pyrimidin-4-yl]-3-phenyl-piperazin-2-one Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O3/c27-19-18(14-5-2-1-3-6-14)25(12-11-21-19)17-9-10-22-20(24-17)23-15-7-4-8-16(13-15)26(28)29/h1-10,13,18H,11-12H2,(H,21,27)(H,22,23,24)