[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C22H18N4O4/c1-15(27)24-19(13-16-7-3-2-4-8-16)22(29)30-14-20-25-18-10-6-5-9-17(18)21(28)26(20)12-11-23/h2-10,13H,12,14H2,1H3,(H,24,27)/b19-13-