2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]prop-2-enenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]prop-2-enenitrile Openeye Name: 2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(2-methyl-4-oxo-quinazolin-3-yl)pyrrol-3-yl]prop-2-enenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(2-methyl-4-oxo-3-quinazolinyl)-3-pyrrolyl]-2-propenenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(2-methyl-4-oxoquinazolin-3-yl)pyrrol-3-yl]prop-2-enenitrile Traditional Name: 2-(1H-benzimidazol-2-yl)-3-[1-(4-keto-2-methyl-quinazolin-3-yl)-2,5-dimethyl-pyrrol-3-yl]acrylonitrile Formula: C25H20N6O MolecularWeight: 420.4659

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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)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=C(N1N2C(=NC3=CC=CC=C3C2=O)C)C)C=C(C#N)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H20N6O/c1-15-12-18(13-19(14-26)24-28-22-10-6-7-11-23(22)29-24)16(2)30(15)31-17(3)27-21-9-5-4-8-20(21)25(31)32/h4-13H,1-3H3,(H,28,29)