3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: 3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: 3-[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: 3-[3-(7-methoxy-2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: 3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: 2-(4-keto-1H-quinazolin-2-yl)-3-[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C29H19N5O3 MolecularWeight: 485.49286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C3=NN(C=C3C=C(C#N)C4=NC(=O)C5=CC=CC=C5N4)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NN(C=C3C=C(C#N)C4=NC(=O)C5=CC=CC=C5N4)C6=CC=CC=C6

InChI

InChI=1S/C29H19N5O3/c1-36-24-13-7-8-18-15-25(37-27(18)24)26-20(17-34(33-26)21-9-3-2-4-10-21)14-19(16-30)28-31-23-12-6-5-11-22(23)29(35)32-28/h2-15,17H,1H3,(H,31,32,35)