[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-[3-(p-tolyl)-1H-pyrazol-5-yl]methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-[3-(p-tolyl)-1H-pyrazol-5-yl]methanone Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

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