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

Systemtic Name: 2-[[2,6-bis(chloranyl)phenyl]amino]-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)-3-methyl-benzimidazole-4-carbonitrile CAS Name: 2-(2,6-dichloroanilino)-3-methyl-5-(2-methyl-3-oxobutan-2-yl)-4-benzimidazolecarbonitrile IUPAC Name: 2-(2,6-dichloroanilino)-3-methyl-5-(2-methyl-3-oxobutan-2-yl)benzimidazole-4-carbonitrile Traditional Name: 2-(2,6-dichloroanilino)-5-(2-keto-1,1-dimethyl-propyl)-3-methyl-benzimidazole-4-carbonitrile Formula: C20H18Cl2N4O MolecularWeight: 401.28912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N4O/c1-11(27)20(2,3)13-8-9-16-18(12(13)10-23)26(4)19(24-16)25-17-14(21)6-5-7-15(17)22/h5-9H,1-4H3,(H,24,25)