2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide Openeye Name: 2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxo-quinazolin-3-yl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide CAS Name: 2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxo-3-quinazolinyl)-3-pyrrolyl]-N-(4-fluorophenyl)-2-propenamide IUPAC Name: 2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxoquinazolin-3-yl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide Traditional Name: 2-cyano-N-(4-fluorophenyl)-3-[1-(4-keto-2-methyl-quinazolin-3-yl)-2,5-dimethyl-pyrrol-3-yl]acrylamide Formula: C25H20FN5O2 MolecularWeight: 441.457003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1N2C(=NC3=CC=CC=C3C2=O)C)C)C=C(C#N)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(N1N2C(=NC3=CC=CC=C3C2=O)C)C)C=C(C#N)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H20FN5O2/c1-15-12-18(13-19(14-27)24(32)29-21-10-8-20(26)9-11-21)16(2)30(15)31-17(3)28-23-7-5-4-6-22(23)25(31)33/h4-13H,1-3H3,(H,29,32)