[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1H-indole-3-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1H-indole-3-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 1H-indole-3-carboxylate CAS Name: 1H-indole-3-carboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 1H-indole-3-carboxylate Traditional Name: 1H-indole-3-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H14N4O3 MolecularWeight: 358.35016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C20H14N4O3/c21-9-10-24-18(23-17-8-4-2-6-14(17)19(24)25)12-27-20(26)15-11-22-16-7-3-1-5-13(15)16/h1-8,11,22H,10,12H2