5,7-bis(bromanyl)-2-cyclopropyl-4-(3-fluorophenyl)-6-oxidanyl-1-oxidanylidene-isoquinoline-3-carbonitrile

Systemtic Name: 5,7-bis(bromanyl)-2-cyclopropyl-4-(3-fluorophenyl)-6-oxidanyl-1-oxidanylidene-isoquinoline-3-carbonitrile Openeye Name: 5,7-dibromo-2-cyclopropyl-4-(3-fluorophenyl)-6-hydroxy-1-oxo-isoquinoline-3-carbonitrile CAS Name: 5,7-dibromo-2-cyclopropyl-4-(3-fluorophenyl)-6-hydroxy-1-oxo-3-isoquinolinecarbonitrile IUPAC Name: 5,7-dibromo-2-cyclopropyl-4-(3-fluorophenyl)-6-hydroxy-1-oxoisoquinoline-3-carbonitrile Traditional Name: 5,7-dibromo-2-cyclopropyl-4-(3-fluorophenyl)-6-hydroxy-1-keto-isoquinoline-3-carbonitrile Formula: C19H11Br2FN2O2 MolecularWeight: 478.109243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C3=C(C(=C(C=C3C2=O)Br)O)Br)C4=CC(=CC=C4)F)C#N

Isomeric SMILES

C1CC1N2C(=C(C3=C(C(=C(C=C3C2=O)Br)O)Br)C4=CC(=CC=C4)F)C#N

InChI

InChI=1S/C19H11Br2FN2O2/c20-13-7-12-16(17(21)18(13)25)15(9-2-1-3-10(22)6-9)14(8-23)24(19(12)26)11-4-5-11/h1-3,6-7,11,25H,4-5H2