[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]-[4-(2-nitrophenyl)piperazino]methanone Formula: C22H22BrN5O3 MolecularWeight: 484.34578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C)Br

InChI

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