7-azanyl-6-cyano-5-methyl-4-oxidanylidene-3-phenyl-phthalazine-1-carboxylic acid

Systemtic Name: 7-azanyl-6-cyano-5-methyl-4-oxidanylidene-3-phenyl-phthalazine-1-carboxylic acid Openeye Name: 7-amino-6-cyano-5-methyl-4-oxo-3-phenyl-phthalazine-1-carboxylic acid CAS Name: 7-amino-6-cyano-5-methyl-4-oxo-3-phenyl-1-phthalazinecarboxylic acid IUPAC Name: 7-amino-6-cyano-5-methyl-4-oxo-3-phenylphthalazine-1-carboxylic acid Traditional Name: 7-amino-6-cyano-4-keto-5-methyl-3-phenyl-phthalazine-1-carboxylic acid Formula: C17H12N4O3 MolecularWeight: 320.30218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1C#N)N)C(=NN(C2=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1C#N)N)C(=NN(C2=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H12N4O3/c1-9-12(8-18)13(19)7-11-14(9)16(22)21(20-15(11)17(23)24)10-5-3-2-4-6-10/h2-7H,19H2,1H3,(H,23,24)