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

Systemtic Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoranyl-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-(1-methyl-3-pyrazolyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-(1-methylpyrazol-3-yl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-1-keto-3-methyl-2-(1-methylpyrazol-3-yl)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)N1C3=NN(C=C3)C)C(=O)NC(C4CC4)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1C3=NN(C=C3)C)C(=O)N[C@@H](C4CC4)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H22F2N4O2/c1-14-21(24(32)28-23(15-9-10-15)16-5-3-6-17(26)13-16)18-7-4-8-19(27)22(18)25(33)31(14)20-11-12-30(2)29-20/h3-8,11-13,15,23H,9-10H2,1-2H3,(H,28,32)/t23-/m0/s1