(3R)-2-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-[3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-[3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H21FN4O2 MolecularWeight: 440.468943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)C(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C26H21FN4O2/c27-20-12-10-17(11-13-20)24-22(16-31(29-24)21-8-2-1-3-9-21)26(33)30-15-19-7-5-4-6-18(19)14-23(30)25(28)32/h1-13,16,23H,14-15H2,(H2,28,32)/t23-/m1/s1