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

Systemtic Name: [(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-chloranyl-3-nitro-phenyl)methanone Openeye Name: [(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-chloro-3-nitro-phenyl)methanone CAS Name: [(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-chloro-3-nitrophenyl)methanone IUPAC Name: [(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-chloro-3-nitrophenyl)methanone Traditional Name: [(5S)-5-(4-bromophenyl)-3-phenyl-2-pyrazolin-1-yl]-(4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrClN3O3/c23-17-9-6-15(7-10-17)20-13-19(14-4-2-1-3-5-14)25-26(20)22(28)16-8-11-18(24)21(12-16)27(29)30/h1-12,20H,13H2/t20-/m0/s1