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

Systemtic Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoranyl-2-(1H-imidazol-2-ylmethyl)-3-methyl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-2-(1H-imidazol-2-ylmethyl)-3-methyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-2-(1H-imidazol-2-ylmethyl)-3-methyl-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-2-(1H-imidazol-2-ylmethyl)-3-methyl-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-2-(1H-imidazol-2-ylmethyl)-1-keto-3-methyl-isoquinoline-4-carboxamide Formula: C25H22F2N4O2 MolecularWeight: 448.464586

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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(C4CC4)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](C4CC4)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H22F2N4O2/c1-14-21(24(32)30-23(15-8-9-15)16-4-2-5-17(26)12-16)18-6-3-7-19(27)22(18)25(33)31(14)13-20-28-10-11-29-20/h2-7,10-12,15,23H,8-9,13H2,1H3,(H,28,29)(H,30,32)/t23-/m0/s1