1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-fluoranyl-2-(1-phenylpyrazol-4-yl)carbonyl-phenoxy]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-fluoranyl-2-(1-phenylpyrazol-4-yl)carbonyl-phenoxy]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-fluoro-2-[oxo-(1-phenyl-4-pyrazolyl)methyl]phenoxy]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]ethanone Formula: C27H22FN3O3 MolecularWeight: 455.480283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC3=C(C=C(C=C3)F)C(=O)C4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC3=C(C=C(C=C3)F)C(=O)C4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H22FN3O3/c28-22-10-11-25(34-18-26(32)30-13-12-19-6-4-5-7-20(19)16-30)24(14-22)27(33)21-15-29-31(17-21)23-8-2-1-3-9-23/h1-11,14-15,17H,12-13,16,18H2