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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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