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

Systemtic Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoranyl-2-(furan-2-ylmethyl)-3-methyl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-2-(2-furylmethyl)-3-methyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-2-(2-furanylmethyl)-3-methyl-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-2-(furan-2-ylmethyl)-3-methyl-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-2-(2-furfuryl)-1-keto-3-methyl-isoquinoline-4-carboxamide Formula: C27H24F2N2O3 MolecularWeight: 462.487866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC3=CC=CO3)C(=O)NC(C4CCC4)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC3=CC=CO3)C(=O)N[C@@H](C4CCC4)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H24F2N2O3/c1-16-23(26(32)30-25(17-6-2-7-17)18-8-3-9-19(28)14-18)21-11-4-12-22(29)24(21)27(33)31(16)15-20-10-5-13-34-20/h3-5,8-14,17,25H,2,6-7,15H2,1H3,(H,30,32)/t25-/m0/s1