2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-(4-fluorobenzyl)-1-keto-isoquinoline-4-carboxamide Formula: C23H16ClFN2O2 MolecularWeight: 406.836743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H16ClFN2O2/c24-16-7-11-18(12-8-16)27-14-21(19-3-1-2-4-20(19)23(27)29)22(28)26-13-15-5-9-17(25)10-6-15/h1-12,14H,13H2,(H,26,28)