N-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[2-(2-fluoro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[2-(2-fluoro-4-methylanilino)-2-oxo-1-phenylethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[2-(2-fluoro-4-methylanilino)-2-oxo-1-phenylethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[2-(2-fluoro-4-methyl-anilino)-2-keto-1-phenyl-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C25H24FN3O2 MolecularWeight: 417.475363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4CN3)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4CN3)F

InChI

InChI=1S/C25H24FN3O2/c1-16-11-12-21(20(26)13-16)28-25(31)23(17-7-3-2-4-8-17)29-24(30)22-14-18-9-5-6-10-19(18)15-27-22/h2-13,22-23,27H,14-15H2,1H3,(H,28,31)(H,29,30)