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

Systemtic Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoranyl-3-methyl-1-oxidanylidene-2-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-(2-thienylmethyl)isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-1-keto-3-methyl-2-(2-thenyl)isoquinoline-4-carboxamide Formula: C26H22F2N2O2S MolecularWeight: 464.526886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC3=CC=CS3)C(=O)NC(C4CC4)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC3=CC=CS3)C(=O)N[C@@H](C4CC4)C5=CC(=CC=C5)F

InChI

InChI=1S/C26H22F2N2O2S/c1-15-22(25(31)29-24(16-10-11-16)17-5-2-6-18(27)13-17)20-8-3-9-21(28)23(20)26(32)30(15)14-19-7-4-12-33-19/h2-9,12-13,16,24H,10-11,14H2,1H3,(H,29,31)/t24-/m0/s1