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

Systemtic Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-ethoxy-8-fluoranyl-3-methyl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-ethoxy-8-fluoro-3-methyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-ethoxy-8-fluoro-3-methyl-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-ethoxy-8-fluoro-3-methyl-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-ethoxy-8-fluoro-1-keto-3-methyl-isoquinoline-4-carboxamide Formula: C23H22F2N2O3 MolecularWeight: 412.429186

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Descriptors Computed from Structure

Canonical SMILES:

CCON1C(=C(C2=C(C1=O)C(=CC=C2)F)C(=O)NC(C3CC3)C4=CC(=CC=C4)F)C

Isomeric SMILES

CCON1C(=C(C2=C(C1=O)C(=CC=C2)F)C(=O)N[C@@H](C3CC3)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C23H22F2N2O3/c1-3-30-27-13(2)19(17-8-5-9-18(25)20(17)23(27)29)22(28)26-21(14-10-11-14)15-6-4-7-16(24)12-15/h4-9,12,14,21H,3,10-11H2,1-2H3,(H,26,28)/t21-/m0/s1