N-[(2S)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(2-fluoroanilino)-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(2-fluoroanilino)-2-keto-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C27H28FN3O4 MolecularWeight: 477.527323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4F)OC

InChI

InChI=1S/C27H28FN3O4/c1-34-24-15-19-12-13-31(17-20(19)16-25(24)35-2)27(33)30-23(14-18-8-4-3-5-9-18)26(32)29-22-11-7-6-10-21(22)28/h3-11,15-16,23H,12-14,17H2,1-2H3,(H,29,32)(H,30,33)/t23-/m0/s1