(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C28H21ClN4O3 MolecularWeight: 496.94434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H21ClN4O3/c1-18-7-9-19(10-8-18)27-20(16-33(32-27)22-5-3-2-4-6-22)11-14-26(34)36-17-25-30-24-15-21(29)12-13-23(24)28(35)31-25/h2-16H,17H2,1H3,(H,30,31,35)/b14-11+