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

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-ethyl]-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-2-keto-ethyl]-1-keto-isoquinoline-4-carboxamide Formula: C26H22FN3O3 MolecularWeight: 443.469583

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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)NCC(=O)NC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)NC4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H22FN3O3/c1-16-7-12-20(13-17(16)2)30-15-23(21-5-3-4-6-22(21)26(30)33)25(32)28-14-24(31)29-19-10-8-18(27)9-11-19/h3-13,15H,14H2,1-2H3,(H,28,32)(H,29,31)