[1-(4-bromophenyl)-5-ethyl-pyrazol-4-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [1-(4-bromophenyl)-5-ethyl-pyrazol-4-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [1-(4-bromophenyl)-5-ethyl-pyrazol-4-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone CAS Name: [1-(4-bromophenyl)-5-ethyl-4-pyrazolyl]-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-bromophenyl)-5-ethylpyrazol-4-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [1-(4-bromophenyl)-5-ethyl-pyrazol-4-yl]-[4-(2-nitrophenyl)piperazino]methanone Formula: C22H22BrN5O3 MolecularWeight: 484.34578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H22BrN5O3/c1-2-19-18(15-24-27(19)17-9-7-16(23)8-10-17)22(29)26-13-11-25(12-14-26)20-5-3-4-6-21(20)28(30)31/h3-10,15H,2,11-14H2,1H3