N-(5-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-(5-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-(5-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-(5-chloro-2-methylphenyl)-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxo-3-quinazolinyl)-3-pyrrolyl]-2-propenamide IUPAC Name: N-(5-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-(5-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=C(C=C(C=C1)Cl)NC(=O)C(=CC2=C(N(C(=C2)C)N3C(=NC4=CC=CC=C4C3=O)C)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=C(N(C(=C2)C)N3C(=NC4=CC=CC=C4C3=O)C)C)C#N

InChI

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