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

Systemtic Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoranyl-3-methyl-1-oxidanylidene-2-prop-2-ynyl-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-prop-2-ynyl-isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-prop-2-ynyl-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-prop-2-ynylisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-1-keto-3-methyl-2-propargyl-isoquinoline-4-carboxamide Formula: C24H20F2N2O2 MolecularWeight: 406.424606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC#C)C(=O)NC(C3CC3)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC#C)C(=O)N[C@@H](C3CC3)C4=CC(=CC=C4)F

InChI

InChI=1S/C24H20F2N2O2/c1-3-12-28-14(2)20(18-8-5-9-19(26)21(18)24(28)30)23(29)27-22(15-10-11-15)16-6-4-7-17(25)13-16/h1,4-9,13,15,22H,10-12H2,2H3,(H,27,29)/t22-/m0/s1