methyl 4-[[3-(2-azanyl-6-chloranyl-quinazolin-4-yl)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(2-azanyl-6-chloranyl-quinazolin-4-yl)phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-amino-6-chloro-quinazolin-4-yl)phenyl]carbamoyl]benzoate CAS Name: 4-[[3-(2-amino-6-chloro-4-quinazolinyl)anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]carbamoyl]benzoate Traditional Name: 4-[[3-(2-amino-6-chloro-quinazolin-4-yl)phenyl]carbamoyl]benzoic acid methyl ester Formula: C23H17ClN4O3 MolecularWeight: 432.85908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC(=NC4=C3C=C(C=C4)Cl)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC(=NC4=C3C=C(C=C4)Cl)N

InChI

InChI=1S/C23H17ClN4O3/c1-31-22(30)14-7-5-13(6-8-14)21(29)26-17-4-2-3-15(11-17)20-18-12-16(24)9-10-19(18)27-23(25)28-20/h2-12H,1H3,(H,26,29)(H2,25,27,28)