6-bromanyl-2-[(5-methylpyrazin-2-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(5-methylpyrazin-2-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(5-methylpyrazin-2-yl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(5-methyl-2-pyrazinyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(5-methylpyrazin-2-yl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-[(5-methylpyrazin-2-yl)methyl]-4-phenyl-isoquinoline-3-carboxylic acid Formula: C22H16BrN3O3 MolecularWeight: 450.28474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CN=C(C=N1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H16BrN3O3/c1-13-10-25-16(11-24-13)12-26-20(22(28)29)19(14-5-3-2-4-6-14)18-9-15(23)7-8-17(18)21(26)27/h2-11H,12H2,1H3,(H,28,29)