[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 3-(3-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)propanoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)propionic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C22H22BrN3O4/c1-14(15-7-9-16(23)10-8-15)24-20(27)13-30-21(28)12-11-19-25-18-6-4-3-5-17(18)22(29)26(19)2/h3-10,14H,11-13H2,1-2H3,(H,24,27)