(3S)-2-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H16BrFN2O2 MolecularWeight: 403.244943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrFN2O2/c20-15-6-7-16(21)13(9-15)5-8-18(24)23-11-14-4-2-1-3-12(14)10-17(23)19(22)25/h1-9,17H,10-11H2,(H2,22,25)/b8-5+/t17-/m0/s1