[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenyl-methanone

Systemtic Name: [(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenyl-methanone Openeye Name: [(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenyl-methanone CAS Name: [(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone IUPAC Name: [(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone Traditional Name: [(5S)-5-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-2-pyrazolin-1-yl]-phenyl-methanone Formula: C23H17BrN4O MolecularWeight: 445.31128

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H17BrN4O/c24-17-12-10-15(11-13-17)20-14-21(22-25-18-8-4-5-9-19(18)26-22)28(27-20)23(29)16-6-2-1-3-7-16/h1-13,21H,14H2,(H,25,26)/t21-/m0/s1