N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-2-cyclopropyl-1-oxidanylidene-isoquinoline-5-carboxamide

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-2-cyclopropyl-1-oxidanylidene-isoquinoline-5-carboxamide Openeye Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-cyclopropyl-1-oxo-isoquinoline-5-carboxamide CAS Name: N-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyl-1-oxo-5-isoquinolinecarboxamide IUPAC Name: N-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyl-1-oxoisoquinoline-5-carboxamide Traditional Name: N-(3-chloro-4-fluoro-benzyl)-2-cyclopropyl-1-keto-isoquinoline-5-carboxamide Formula: C20H16ClFN2O2 MolecularWeight: 370.804643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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