N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoranyl-3-methyl-1-oxidanylidene-2-prop-2-ynyl-isoquinoline-4-carboxamide

Systemtic Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoranyl-3-methyl-1-oxidanylidene-2-prop-2-ynyl-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-prop-2-ynyl-isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-prop-2-ynyl-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-prop-2-ynylisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-1-keto-3-methyl-2-propargyl-isoquinoline-4-carboxamide Formula: C25H22F2N2O2 MolecularWeight: 420.451186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC#C)C(=O)NC(C3CCC3)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC#C)C(=O)N[C@@H](C3CCC3)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H22F2N2O2/c1-3-13-29-15(2)21(19-11-6-12-20(27)22(19)25(29)31)24(30)28-23(16-7-4-8-16)17-9-5-10-18(26)14-17/h1,5-6,9-12,14,16,23H,4,7-8,13H2,2H3,(H,28,30)/t23-/m0/s1