2-[[2,6-bis(chloranyl)phenyl]amino]-7-methanoyl-3-methyl-5-(2-methyl-3-oxidanylidene-butan-2-yl)benzimidazole-4-carbonitrile

Systemtic Name: 2-[[2,6-bis(chloranyl)phenyl]amino]-7-methanoyl-3-methyl-5-(2-methyl-3-oxidanylidene-butan-2-yl)benzimidazole-4-carbonitrile Openeye Name: 2-(2,6-dichloroanilino)-5-(1,1-dimethyl-2-oxo-propyl)-7-formyl-3-methyl-benzimidazole-4-carbonitrile CAS Name: 2-(2,6-dichloroanilino)-7-formyl-3-methyl-5-(2-methyl-3-oxobutan-2-yl)-4-benzimidazolecarbonitrile IUPAC Name: 2-(2,6-dichloroanilino)-7-formyl-3-methyl-5-(2-methyl-3-oxobutan-2-yl)benzimidazole-4-carbonitrile Traditional Name: 2-(2,6-dichloroanilino)-7-formyl-5-(2-keto-1,1-dimethyl-propyl)-3-methyl-benzimidazole-4-carbonitrile Formula: C21H18Cl2N4O2 MolecularWeight: 429.29922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)C1=C(C2=C(C(=C1)C=O)N=C(N2C)NC3=C(C=CC=C3Cl)Cl)C#N

Isomeric SMILES

CC(=O)C(C)(C)C1=C(C2=C(C(=C1)C=O)N=C(N2C)NC3=C(C=CC=C3Cl)Cl)C#N

InChI

InChI=1S/C21H18Cl2N4O2/c1-11(29)21(2,3)14-8-12(10-28)17-19(13(14)9-24)27(4)20(25-17)26-18-15(22)6-5-7-16(18)23/h5-8,10H,1-4H3,(H,25,26)