[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]acrylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C28H21N5O4 MolecularWeight: 491.49744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C=CC(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C=CC(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N)C5=CC=CC=C5

InChI

InChI=1S/C28H21N5O4/c1-19-11-13-24(37-19)27-20(17-33(31-27)21-7-3-2-4-8-21)12-14-26(34)36-18-25-30-23-10-6-5-9-22(23)28(35)32(25)16-15-29/h2-14,17H,16,18H2,1H3