[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C24H20N4O3 MolecularWeight: 412.4406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C24H20N4O3/c1-16-14-20(17(2)28(16)18-8-4-3-5-9-18)24(30)31-15-22-26-21-11-7-6-10-19(21)23(29)27(22)13-12-25/h3-11,14H,13,15H2,1-2H3