(E)-3-[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-[3-(4-methoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[3-(4-methoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-keto-1H-quinazolin-2-yl)-3-[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C28H21N5O2 MolecularWeight: 459.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H21N5O2/c1-18-14-19(12-13-25(18)35-2)26-21(17-33(32-26)22-8-4-3-5-9-22)15-20(16-29)27-30-24-11-7-6-10-23(24)28(34)31-27/h3-15,17H,1-2H3,(H,30,31,34)/b20-15+