4-methyl-3-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 4-methyl-3-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 4-methyl-3-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 4-methyl-3-[3-nitro-4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 4-methyl-3-[3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 4-methyl-3-[3-nitro-4-[4-(2-pyrimidyl)piperazino]phenyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N7O3/c1-13-11-17(27)22-23-18(13)14-3-4-15(16(12-14)26(28)29)24-7-9-25(10-8-24)19-20-5-2-6-21-19/h2-6,12-13H,7-11H2,1H3,(H,22,27)