2-(4-oxidanylidene-1H-quinazolin-2-yl)-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: 2-(4-oxidanylidene-1H-quinazolin-2-yl)-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: 2-(4-oxo-1H-quinazolin-2-yl)-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(4-oxo-1H-quinazolin-2-yl)-3-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)-2-propenenitrile IUPAC Name: 2-(4-oxo-1H-quinazolin-2-yl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: 2-(4-keto-1H-quinazolin-2-yl)-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]acrylonitrile Formula: C25H16N6O MolecularWeight: 416.43414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C=C(C#N)C4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)C=C(C#N)C4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H16N6O/c26-15-18(24-28-22-9-5-4-8-21(22)25(32)29-24)14-19-16-31(20-6-2-1-3-7-20)30-23(19)17-10-12-27-13-11-17/h1-14,16H,(H,28,29,32)