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

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(1-oxidanylbutan-2-yl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)methyl]-1-[1-(hydroxymethyl)propyl]-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-hydroxybutan-2-yl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-hydroxybutan-2-yl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 3-(3-chloro-4-methoxy-benzyl)-2-keto-1-(1-methylolpropyl)benzimidazole-5-carbonitrile Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C2=C(C=C(C=C2)C#N)N(C1=O)CC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCC(CO)N1C2=C(C=C(C=C2)C#N)N(C1=O)CC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C20H20ClN3O3/c1-3-15(12-25)24-17-6-4-13(10-22)9-18(17)23(20(24)26)11-14-5-7-19(27-2)16(21)8-14/h4-9,15,25H,3,11-12H2,1-2H3