[(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(2-chloranyl-5-nitro-phenyl)methanone

Systemtic Name: [(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(2-chloranyl-5-nitro-phenyl)methanone Openeye Name: [(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(2-chloro-5-nitro-phenyl)methanone CAS Name: [(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(2-chloro-5-nitrophenyl)methanone IUPAC Name: [(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(2-chloro-5-nitrophenyl)methanone Traditional Name: [(5S)-5-(4-bromophenyl)-3-phenyl-2-pyrazolin-1-yl]-(2-chloro-5-nitro-phenyl)methanone Formula: C22H15BrClN3O3 MolecularWeight: 484.7298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)Br

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrClN3O3/c23-16-8-6-15(7-9-16)21-13-20(14-4-2-1-3-5-14)25-26(21)22(28)18-12-17(27(29)30)10-11-19(18)24/h1-12,21H,13H2/t21-/m0/s1