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

Systemtic Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoranyl-3-methyl-1-oxidanylidene-2-pyrrol-1-yl-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-pyrrol-1-yl-isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-(1-pyrrolyl)-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-pyrrol-1-ylisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-1-keto-3-methyl-2-pyrrol-1-yl-isoquinoline-4-carboxamide Formula: C25H21F2N3O2 MolecularWeight: 433.449946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1N3C=CC=C3)C(=O)NC(C4CC4)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1N3C=CC=C3)C(=O)N[C@@H](C4CC4)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H21F2N3O2/c1-15-21(24(31)28-23(16-10-11-16)17-6-4-7-18(26)14-17)19-8-5-9-20(27)22(19)25(32)30(15)29-12-2-3-13-29/h2-9,12-14,16,23H,10-11H2,1H3,(H,28,31)/t23-/m0/s1