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

Systemtic Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoranyl-2-(1H-imidazol-2-ylmethyl)-3-methyl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-2-(1H-imidazol-2-ylmethyl)-3-methyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-2-(1H-imidazol-2-ylmethyl)-3-methyl-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-2-(1H-imidazol-2-ylmethyl)-3-methyl-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-2-(1H-imidazol-2-ylmethyl)-1-keto-3-methyl-isoquinoline-4-carboxamide Formula: C26H24F2N4O2 MolecularWeight: 462.491166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC3=NC=CN3)C(=O)NC(C4CCC4)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC3=NC=CN3)C(=O)N[C@@H](C4CCC4)C5=CC(=CC=C5)F

InChI

InChI=1S/C26H24F2N4O2/c1-15-22(25(33)31-24(16-5-2-6-16)17-7-3-8-18(27)13-17)19-9-4-10-20(28)23(19)26(34)32(15)14-21-29-11-12-30-21/h3-4,7-13,16,24H,2,5-6,14H2,1H3,(H,29,30)(H,31,33)/t24-/m0/s1