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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]prop-2-enamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxo-quinazolin-3-yl)pyrrol-3-yl]prop-2-enamide CAS Name: N-(3-chloro-2-methylphenyl)-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxo-3-quinazolinyl)-3-pyrrolyl]-2-propenamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxoquinazolin-3-yl)pyrrol-3-yl]prop-2-enamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-cyano-3-[1-(4-keto-2-methyl-quinazolin-3-yl)-2,5-dimethyl-pyrrol-3-yl]acrylamide Formula: C26H22ClN5O2 MolecularWeight: 471.93818

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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=C(C(=CC=C4)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClN5O2/c1-15-12-19(13-20(14-28)25(33)30-23-11-7-9-22(27)16(23)2)17(3)31(15)32-18(4)29-24-10-6-5-8-21(24)26(32)34/h5-13H,1-4H3,(H,30,33)