2-[(2E)-2-[3-(2-chloranylpyridin-3-yl)-6-fluoranyl-4-oxidanylidene-1H-quinazolin-2-ylidene]ethanoyl]pyridine-3-carbonitrile

Systemtic Name: 2-[(2E)-2-[3-(2-chloranylpyridin-3-yl)-6-fluoranyl-4-oxidanylidene-1H-quinazolin-2-ylidene]ethanoyl]pyridine-3-carbonitrile Openeye Name: 2-[(2E)-2-[3-(2-chloro-3-pyridyl)-6-fluoro-4-oxo-1H-quinazolin-2-ylidene]acetyl]pyridine-3-carbonitrile CAS Name: 2-[(2E)-2-[3-(2-chloro-3-pyridinyl)-6-fluoro-4-oxo-1H-quinazolin-2-ylidene]-1-oxoethyl]-3-pyridinecarbonitrile IUPAC Name: 2-[(2E)-2-[3-(2-chloropyridin-3-yl)-6-fluoro-4-oxo-1H-quinazolin-2-ylidene]acetyl]pyridine-3-carbonitrile Traditional Name: 2-[(2E)-2-[3-(2-chloro-3-pyridyl)-6-fluoro-4-keto-1H-quinazolin-2-ylidene]acetyl]nicotinonitrile Formula: C21H11ClFN5O2 MolecularWeight: 419.795743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C(=O)C=C2NC3=C(C=C(C=C3)F)C(=O)N2C4=C(N=CC=C4)Cl)C#N

Isomeric SMILES

C1=CC(=C(N=C1)C(=O)/C=C/2\NC3=C(C=C(C=C3)F)C(=O)N2C4=C(N=CC=C4)Cl)C#N

InChI

InChI=1S/C21H11ClFN5O2/c22-20-16(4-2-8-26-20)28-18(10-17(29)19-12(11-24)3-1-7-25-19)27-15-6-5-13(23)9-14(15)21(28)30/h1-10,27H/b18-10+