[4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-[5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-[5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3/c1-15-3-4-16(2)20(13-15)25-9-11-26(12-10-25)22(28)19-14-23-24-21(19)17-5-7-18(8-6-17)27(29)30/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)