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

Systemtic Name: 2-[(2E)-2-[3-(2-chloranylpyridin-3-yl)-6-fluoranyl-4-oxidanylidene-1H-quinazolin-2-ylidene]ethanoyl]-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[(2E)-2-[3-(2-chloro-3-pyridyl)-6-fluoro-4-oxo-1H-quinazolin-2-ylidene]acetyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[(2E)-2-[3-(2-chloro-3-pyridinyl)-6-fluoro-4-oxo-1H-quinazolin-2-ylidene]-1-oxoethyl]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2E)-2-[3-(2-chloropyridin-3-yl)-6-fluoro-4-oxo-1H-quinazolin-2-ylidene]acetyl]-6-methylpyridine-3-carbonitrile Traditional Name: 2-[(2E)-2-[3-(2-chloro-3-pyridyl)-6-fluoro-4-keto-1H-quinazolin-2-ylidene]acetyl]-6-methyl-nicotinonitrile Formula: C22H13ClFN5O2 MolecularWeight: 433.822323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)C(=O)C=C2NC3=C(C=C(C=C3)F)C(=O)N2C4=C(N=CC=C4)Cl

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)C(=O)/C=C/2\NC3=C(C=C(C=C3)F)C(=O)N2C4=C(N=CC=C4)Cl

InChI

InChI=1S/C22H13ClFN5O2/c1-12-4-5-13(11-25)20(27-12)18(30)10-19-28-16-7-6-14(24)9-15(16)22(31)29(19)17-3-2-8-26-21(17)23/h2-10,28H,1H3/b19-10+