(Z)-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-4aH-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (Z)-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-4aH-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (Z)-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-4aH-quinazolin-2-yl)prop-2-enenitrile CAS Name: (Z)-3-[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(4-oxo-4aH-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (Z)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-(4-oxo-4aH-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (Z)-2-(4-keto-4aH-quinazolin-2-yl)-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C27H19N5O2 MolecularWeight: 445.47206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4C=CC=CC4=N3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2/C=C(/C#N)\C3=NC(=O)C4C=CC=CC4=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H19N5O2/c1-34-22-11-7-8-18(15-22)25-20(17-32(31-25)21-9-3-2-4-10-21)14-19(16-28)26-29-24-13-6-5-12-23(24)27(33)30-26/h2-15,17,23H,1H3/b19-14-