(3-nitro-4-phenylazanyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-nitro-4-phenylazanyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (4-anilino-3-nitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (4-anilino-3-nitrophenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-anilino-3-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (4-anilino-3-nitro-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O3/c28-20(25-11-13-26(14-12-25)21-22-9-4-10-23-21)16-7-8-18(19(15-16)27(29)30)24-17-5-2-1-3-6-17/h1-10,15,24H,11-14H2