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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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