4-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-5-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C20H16BrN4O3- MolecularWeight: 440.27004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCC(=O)[O-])C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=C(C=C2)Br)C(=O)CCC(=O)[O-])C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H17BrN4O3/c21-13-7-5-12(6-8-13)16-11-17(25(24-16)18(26)9-10-19(27)28)20-22-14-3-1-2-4-15(14)23-20/h1-8,17H,9-11H2,(H,22,23)(H,27,28)/p-1/t17-/m1/s1