[1-(3-chlorophenyl)-5-methyl-pyrazol-4-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [1-(3-chlorophenyl)-5-methyl-pyrazol-4-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [1-(3-chlorophenyl)-5-methyl-pyrazol-4-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone CAS Name: [1-(3-chlorophenyl)-5-methyl-4-pyrazolyl]-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [1-(3-chlorophenyl)-5-methyl-pyrazol-4-yl]-[4-(2-nitrophenyl)piperazino]methanone Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O3/c1-15-18(14-23-26(15)17-6-4-5-16(22)13-17)21(28)25-11-9-24(10-12-25)19-7-2-3-8-20(19)27(29)30/h2-8,13-14H,9-12H2,1H3