2-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-(4-fluorobenzyl)-1-keto-isoquinoline-4-carboxamide Formula: C25H21FN2O2 MolecularWeight: 400.444843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H21FN2O2/c1-16-7-12-20(13-17(16)2)28-15-23(21-5-3-4-6-22(21)25(28)30)24(29)27-14-18-8-10-19(26)11-9-18/h3-13,15H,14H2,1-2H3,(H,27,29)