(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3O3/c1-12(2)18-10-16(14-5-3-4-6-17(14)24-18)22(28)29-11-20-25-19-9-13(23)7-8-15(19)21(27)26-20/h3-10,12H,11H2,1-2H3,(H,25,26,27)