[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-pyrrol-1-ylbenzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-pyrrol-1-ylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H16N4O3 MolecularWeight: 384.38744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC(=CC=C3)N4C=CC=C4)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC(=CC=C3)N4C=CC=C4)CC#N

InChI

InChI=1S/C22H16N4O3/c23-10-13-26-20(24-19-9-2-1-8-18(19)21(26)27)15-29-22(28)16-6-5-7-17(14-16)25-11-3-4-12-25/h1-9,11-12,14H,13,15H2