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

Systemtic Name: 5-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-5-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C21H18BrN4O3- MolecularWeight: 454.29662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O3/c22-14-10-8-13(9-11-14)17-12-18(21-23-15-4-1-2-5-16(15)24-21)26(25-17)19(27)6-3-7-20(28)29/h1-2,4-5,8-11,18H,3,6-7,12H2,(H,23,24)(H,28,29)/p-1/t18-/m1/s1