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

Systemtic Name: N-[(2S)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H23BrFN3O4 MolecularWeight: 480.327423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)F)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C21H23BrFN3O4/c1-12(20(27)25-17-5-4-15(22)10-16(17)23)24-21(28)26-7-6-13-8-18(29-2)19(30-3)9-14(13)11-26/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,24,28)(H,25,27)/t12-/m0/s1