[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-[4-oxo-3-(p-tolyl)quinazolin-2-yl]propanoate CAS Name: 3-[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate Traditional Name: 3-[4-keto-3-(p-tolyl)quinazolin-2-yl]propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C23H22N4O4/c1-16-7-9-17(10-8-16)27-20(26-19-6-3-2-5-18(19)23(27)30)11-12-22(29)31-15-21(28)25-14-4-13-24/h2-3,5-10H,4,11-12,14-15H2,1H3,(H,25,28)