[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-(4-fluorophenyl)prop-2-enoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-(4-fluorophenyl)prop-2-enoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (E)-3-(4-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(4-fluorophenyl)-2-propenoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (E)-3-(4-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-fluorophenyl)acrylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H14FN3O3 MolecularWeight: 363.341863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C=CC3=CC=C(C=C3)F)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)/C=C/C3=CC=C(C=C3)F)CC#N

InChI

InChI=1S/C20H14FN3O3/c21-15-8-5-14(6-9-15)7-10-19(25)27-13-18-23-17-4-2-1-3-16(17)20(26)24(18)12-11-22/h1-10H,12-13H2/b10-7+