[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-methylquinoline-4-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-methylquinoline-4-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H16N4O3 MolecularWeight: 384.38744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C22H16N4O3/c1-14-12-17(15-6-2-4-8-18(15)24-14)22(28)29-13-20-25-19-9-5-3-7-16(19)21(27)26(20)11-10-23/h2-9,12H,11,13H2,1H3