(3S)-2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H17BrFN3O2 MolecularWeight: 406.248883

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC(=O)NC3=C(C=C(C=C3)Br)F)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)CC(=O)NC3=C(C=C(C=C3)Br)F)C(=O)N

InChI

InChI=1S/C18H17BrFN3O2/c19-13-5-6-15(14(20)8-13)22-17(24)10-23-9-12-4-2-1-3-11(12)7-16(23)18(21)25/h1-6,8,16H,7,9-10H2,(H2,21,25)(H,22,24)/t16-/m0/s1