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

Systemtic Name: 2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]-N-(2-ethylphenyl)prop-2-enamide Openeye Name: 2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxo-quinazolin-3-yl)pyrrol-3-yl]-N-(2-ethylphenyl)prop-2-enamide CAS Name: 2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxo-3-quinazolinyl)-3-pyrrolyl]-N-(2-ethylphenyl)-2-propenamide IUPAC Name: 2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-oxoquinazolin-3-yl)pyrrol-3-yl]-N-(2-ethylphenyl)prop-2-enamide Traditional Name: 2-cyano-N-(2-ethylphenyl)-3-[1-(4-keto-2-methyl-quinazolin-3-yl)-2,5-dimethyl-pyrrol-3-yl]acrylamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(=CC2=C(N(C(=C2)C)N3C(=NC4=CC=CC=C4C3=O)C)C)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C(=CC2=C(N(C(=C2)C)N3C(=NC4=CC=CC=C4C3=O)C)C)C#N

InChI

InChI=1S/C27H25N5O2/c1-5-20-10-6-8-12-24(20)30-26(33)22(16-28)15-21-14-17(2)31(18(21)3)32-19(4)29-25-13-9-7-11-23(25)27(32)34/h6-15H,5H2,1-4H3,(H,30,33)