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

Systemtic Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoranyl-2-(furan-3-ylmethyl)-3-methyl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-2-(3-furylmethyl)-3-methyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-2-(3-furanylmethyl)-3-methyl-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-2-(furan-3-ylmethyl)-3-methyl-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-2-(3-furfuryl)-1-keto-3-methyl-isoquinoline-4-carboxamide Formula: C26H22F2N2O3 MolecularWeight: 448.461286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC3=COC=C3)C(=O)NC(C4CC4)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1CC3=COC=C3)C(=O)N[C@@H](C4CC4)C5=CC(=CC=C5)F

InChI

InChI=1S/C26H22F2N2O3/c1-15-22(25(31)29-24(17-8-9-17)18-4-2-5-19(27)12-18)20-6-3-7-21(28)23(20)26(32)30(15)13-16-10-11-33-14-16/h2-7,10-12,14,17,24H,8-9,13H2,1H3,(H,29,31)/t24-/m0/s1