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

Systemtic Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoranyl-3-methyl-1-oxidanylidene-2-(pyridin-4-ylmethyl)isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-(4-pyridylmethyl)isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-(pyridin-4-ylmethyl)-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-(pyridin-4-ylmethyl)isoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-1-keto-3-methyl-2-(4-pyridylmethyl)isoquinoline-4-carboxamide Formula: C27H23F2N3O2 MolecularWeight: 459.487226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC3=CC=NC=C3)C(=O)NC(C4CC4)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC3=CC=NC=C3)C(=O)N[C@@H](C4CC4)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H23F2N3O2/c1-16-23(26(33)31-25(18-8-9-18)19-4-2-5-20(28)14-19)21-6-3-7-22(29)24(21)27(34)32(16)15-17-10-12-30-13-11-17/h2-7,10-14,18,25H,8-9,15H2,1H3,(H,31,33)/t25-/m0/s1