[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N6O3/c1-15-13-16(2)26(23-15)20-8-3-17(14-22-20)21(28)25-11-9-24(10-12-25)18-4-6-19(7-5-18)27(29)30/h3-8,13-14H,9-12H2,1-2H3