[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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