3-[(4-chloranyl-3-methoxy-phenyl)methyl]-1-(2,2-dimethyl-1,3-dioxan-5-yl)-2-oxidanylidene-benzimidazole-5-carbonitrile

Systemtic Name: 3-[(4-chloranyl-3-methoxy-phenyl)methyl]-1-(2,2-dimethyl-1,3-dioxan-5-yl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(4-chloro-3-methoxy-phenyl)methyl]-1-(2,2-dimethyl-1,3-dioxan-5-yl)-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(4-chloro-3-methoxyphenyl)methyl]-1-(2,2-dimethyl-1,3-dioxan-5-yl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(4-chloro-3-methoxyphenyl)methyl]-1-(2,2-dimethyl-1,3-dioxan-5-yl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 3-(4-chloro-3-methoxy-benzyl)-1-(2,2-dimethyl-1,3-dioxan-5-yl)-2-keto-benzimidazole-5-carbonitrile Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)N2C3=C(C=C(C=C3)C#N)N(C2=O)CC4=CC(=C(C=C4)Cl)OC)C

Isomeric SMILES

CC1(OCC(CO1)N2C3=C(C=C(C=C3)C#N)N(C2=O)CC4=CC(=C(C=C4)Cl)OC)C

InChI

InChI=1S/C22H22ClN3O4/c1-22(2)29-12-16(13-30-22)26-18-7-5-14(10-24)8-19(18)25(21(26)27)11-15-4-6-17(23)20(9-15)28-3/h4-9,16H,11-13H2,1-3H3