[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O3/c1-15-19(28(30)31)16(2)27(24-15)14-17-4-6-18(7-5-17)20(29)25-10-12-26(13-11-25)21-22-8-3-9-23-21/h3-9H,10-14H2,1-2H3