(4-azanylquinazolin-2-yl)methyl 1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carboxylate CAS Name: 1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(4-methylbenzyl)pyrrolidine-3-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H22N4O3/c1-14-6-8-15(9-7-14)11-26-12-16(10-20(26)27)22(28)29-13-19-24-18-5-3-2-4-17(18)21(23)25-19/h2-9,16H,10-13H2,1H3,(H2,23,24,25)