[4-bromanyl-2-[(E)-(4-oxidanylidene-2-propan-2-yl-quinazolin-3-yl)iminomethyl]phenyl] benzoate

Systemtic Name: [4-bromanyl-2-[(E)-(4-oxidanylidene-2-propan-2-yl-quinazolin-3-yl)iminomethyl]phenyl] benzoate Openeye Name: [4-bromo-2-[(E)-(2-isopropyl-4-oxo-quinazolin-3-yl)iminomethyl]phenyl] benzoate CAS Name: benzoic acid [4-bromo-2-[(E)-(4-oxo-2-propan-2-yl-3-quinazolinyl)iminomethyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(4-oxo-2-propan-2-ylquinazolin-3-yl)iminomethyl]phenyl] benzoate Traditional Name: benzoic acid [4-bromo-2-[(E)-(2-isopropyl-4-keto-quinazolin-3-yl)iminomethyl]phenyl] ester Formula: C25H20BrN3O3 MolecularWeight: 490.3486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=O)N1N=CC3=C(C=CC(=C3)Br)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=O)N1/N=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H20BrN3O3/c1-16(2)23-28-21-11-7-6-10-20(21)24(30)29(23)27-15-18-14-19(26)12-13-22(18)32-25(31)17-8-4-3-5-9-17/h3-16H,1-2H3/b27-15+