[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-[5-methyl-1-(o-tolyl)pyrazol-4-yl]methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-[5-methyl-1-(2-methylphenyl)-4-pyrazolyl]methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-[5-methyl-1-(o-tolyl)pyrazol-4-yl]methanone Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C22H22ClN5O3/c1-15-5-3-4-6-19(15)27-16(2)18(14-24-27)22(29)26-11-9-25(10-12-26)20-8-7-17(23)13-21(20)28(30)31/h3-8,13-14H,9-12H2,1-2H3