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

Systemtic Name: 8-chloranyl-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-3-methyl-1-oxidanylidene-2-phenyl-isoquinoline-4-carboxamide Openeye Name: 8-chloro-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-3-methyl-1-oxo-2-phenyl-isoquinoline-4-carboxamide CAS Name: 8-chloro-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-3-methyl-1-oxo-2-phenyl-4-isoquinolinecarboxamide IUPAC Name: 8-chloro-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-3-methyl-1-oxo-2-phenylisoquinoline-4-carboxamide Traditional Name: 8-chloro-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-1-keto-3-methyl-2-phenyl-isoquinoline-4-carboxamide Formula: C27H22ClFN2O2 MolecularWeight: 460.927183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClFN2O2/c1-16-23(26(32)30-25(17-10-11-17)18-12-14-19(29)15-13-18)21-8-5-9-22(28)24(21)27(33)31(16)20-6-3-2-4-7-20/h2-9,12-15,17,25H,10-11H2,1H3,(H,30,32)/t25-/m0/s1