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

Systemtic Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoranyl-3-methyl-1-oxidanylidene-2-pyridin-3-yl-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-(3-pyridyl)isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-(3-pyridinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-pyridin-3-ylisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-1-keto-3-methyl-2-(3-pyridyl)isoquinoline-4-carboxamide Formula: C26H21F2N3O2 MolecularWeight: 445.460646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1C3=CN=CC=C3)C(=O)NC(C4CC4)C5=CC(=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C26H21F2N3O2/c1-15-22(25(32)30-24(16-10-11-16)17-5-2-6-18(27)13-17)20-8-3-9-21(28)23(20)26(33)31(15)19-7-4-12-29-14-19/h2-9,12-14,16,24H,10-11H2,1H3,(H,30,32)/t24-/m0/s1