6-bromanyl-2-[[4-(morpholin-4-ylcarbamoyl)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[[4-(morpholin-4-ylcarbamoyl)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(morpholinocarbamoyl)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(4-morpholinylamino)-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(morpholin-4-ylcarbamoyl)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-[4-(morpholinocarbamoyl)benzyl]-4-phenyl-isoquinoline-3-carboxylic acid Formula: C28H24BrN3O5 MolecularWeight: 562.41126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1NC(=O)C2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1COCCN1NC(=O)C2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H24BrN3O5/c29-21-10-11-22-23(16-21)24(19-4-2-1-3-5-19)25(28(35)36)32(27(22)34)17-18-6-8-20(9-7-18)26(33)30-31-12-14-37-15-13-31/h1-11,16H,12-15,17H2,(H,30,33)(H,35,36)