(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 6-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 6-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 6-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methyl-2-phenyl-4-quinolinecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 6-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-methyl-2-phenyl-cinchoninic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C26H18ClN3O3 MolecularWeight: 455.89242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H18ClN3O3/c1-15-7-10-21-19(11-15)20(13-22(28-21)16-5-3-2-4-6-16)26(32)33-14-24-29-23-12-17(27)8-9-18(23)25(31)30-24/h2-13H,14H2,1H3,(H,29,30,31)