[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(butylamino)benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(butylamino)benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C22H22N4O3/c1-2-3-13-24-18-10-6-5-9-17(18)22(28)29-15-20-25-19-11-7-4-8-16(19)21(27)26(20)14-12-23/h4-11,24H,2-3,13-15H2,1H3