3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propyl 4-bromanylbenzoate

Systemtic Name: 3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propyl 4-bromanylbenzoate Openeye Name: 3-(2-methyl-4-oxo-quinazolin-3-yl)propyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 3-(2-methyl-4-oxo-3-quinazolinyl)propyl ester IUPAC Name: 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 3-(4-keto-2-methyl-quinazolin-3-yl)propyl ester Formula: C19H17BrN2O3 MolecularWeight: 401.25388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCCOC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCOC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN2O3/c1-13-21-17-6-3-2-5-16(17)18(23)22(13)11-4-12-25-19(24)14-7-9-15(20)10-8-14/h2-3,5-10H,4,11-12H2,1H3