(3S)-2-[(4-cyano-2-fluoranyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(4-cyano-2-fluoranyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(4-cyano-2-fluoro-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(4-cyano-2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(4-cyano-2-fluoro-benzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H16FN3O MolecularWeight: 309.337543

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC3=C(C=C(C=C3)C#N)F)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)CC3=C(C=C(C=C3)C#N)F)C(=O)N

InChI

InChI=1S/C18H16FN3O/c19-16-7-12(9-20)5-6-15(16)11-22-10-14-4-2-1-3-13(14)8-17(22)18(21)23/h1-7,17H,8,10-11H2,(H2,21,23)/t17-/m0/s1