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

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methyl]-2-oxidanylidene-1-piperidin-4-yl-benzimidazole-5-carbonitrile Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)methyl]-2-oxo-1-(4-piperidyl)benzimidazole-5-carbonitrile CAS Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-1-(4-piperidinyl)-5-benzimidazolecarbonitrile IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-2-oxo-1-piperidin-4-ylbenzimidazole-5-carbonitrile Traditional Name: 3-(3-chloro-4-methoxy-benzyl)-2-keto-1-(4-piperidyl)benzimidazole-5-carbonitrile Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCNCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCNCC4)Cl

InChI

InChI=1S/C21H21ClN4O2/c1-28-20-5-3-15(10-17(20)22)13-25-19-11-14(12-23)2-4-18(19)26(21(25)27)16-6-8-24-9-7-16/h2-5,10-11,16,24H,6-9,13H2,1H3