4-[6-(2-chlorophenyl)-7-oxidanylidene-2-(propan-2-ylamino)-1H-quinazolin-8-yl]benzoic acid

Systemtic Name: 4-[6-(2-chlorophenyl)-7-oxidanylidene-2-(propan-2-ylamino)-1H-quinazolin-8-yl]benzoic acid Openeye Name: 4-[6-(2-chlorophenyl)-2-(isopropylamino)-7-oxo-1H-quinazolin-8-yl]benzoic acid CAS Name: 4-[6-(2-chlorophenyl)-7-oxo-2-(propan-2-ylamino)-1H-quinazolin-8-yl]benzoic acid IUPAC Name: 4-[6-(2-chlorophenyl)-7-oxo-2-(propan-2-ylamino)-1H-quinazolin-8-yl]benzoic acid Traditional Name: 4-[6-(2-chlorophenyl)-2-(isopropylamino)-7-keto-1H-quinazolin-8-yl]benzoic acid Formula: C24H20ClN3O3 MolecularWeight: 433.8869

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C2C=C(C(=O)C(=C2N1)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)NC1=NC=C2C=C(C(=O)C(=C2N1)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H20ClN3O3/c1-13(2)27-24-26-12-16-11-18(17-5-3-4-6-19(17)25)22(29)20(21(16)28-24)14-7-9-15(10-8-14)23(30)31/h3-13H,1-2H3,(H,30,31)(H2,26,27,28)