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

Systemtic Name: N-[1-[(2-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[1-benzyl-2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[1-(2-fluoro-4-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[1-(2-fluoro-4-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[1-benzyl-2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C26H26FN3O2 MolecularWeight: 431.501943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4CN3)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4CN3)F

InChI

InChI=1S/C26H26FN3O2/c1-17-11-12-22(21(27)13-17)29-26(32)24(14-18-7-3-2-4-8-18)30-25(31)23-15-19-9-5-6-10-20(19)16-28-23/h2-13,23-24,28H,14-16H2,1H3,(H,29,32)(H,30,31)