[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N)C

InChI

InChI=1S/C23H19N5O3/c1-15-13-16(2)28(26-15)18-9-7-17(8-10-18)23(30)31-14-21-25-20-6-4-3-5-19(20)22(29)27(21)12-11-24/h3-10,13H,12,14H2,1-2H3