N-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-cyclopropyl-1-oxidanylidene-isoquinoline-5-carboxamide

Systemtic Name: N-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-cyclopropyl-1-oxidanylidene-isoquinoline-5-carboxamide Openeye Name: N-[(4-chloro-2-fluoro-phenyl)methyl]-2-cyclopropyl-1-oxo-isoquinoline-5-carboxamide CAS Name: N-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-1-oxo-5-isoquinolinecarboxamide IUPAC Name: N-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyl-1-oxoisoquinoline-5-carboxamide Traditional Name: N-(4-chloro-2-fluoro-benzyl)-2-cyclopropyl-1-keto-isoquinoline-5-carboxamide Formula: C20H16ClFN2O2 MolecularWeight: 370.804643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=CC3=C(C2=O)C=CC=C3C(=O)NCC4=C(C=C(C=C4)Cl)F

Isomeric SMILES

C1CC1N2C=CC3=C(C2=O)C=CC=C3C(=O)NCC4=C(C=C(C=C4)Cl)F

InChI

InChI=1S/C20H16ClFN2O2/c21-13-5-4-12(18(22)10-13)11-23-19(25)16-2-1-3-17-15(16)8-9-24(20(17)26)14-6-7-14/h1-5,8-10,14H,6-7,11H2,(H,23,25)