6-cyano-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 6-cyano-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 2-benzyl-6-cyano-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-cyano-1-oxo-4-phenyl-2-(phenylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-benzyl-6-cyano-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-benzyl-6-cyano-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H16N2O3 MolecularWeight: 380.39544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)C#N)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)C#N)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H16N2O3/c25-14-17-11-12-19-20(13-17)21(18-9-5-2-6-10-18)22(24(28)29)26(23(19)27)15-16-7-3-1-4-8-16/h1-13H,15H2,(H,28,29)