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

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(1-methanoylpiperidin-4-yl)-2-oxidanylidene-benzimidazole-5-carbonitrile Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)methyl]-1-(1-formyl-4-piperidyl)-2-oxo-benzimidazole-5-carbonitrile CAS Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-formyl-4-piperidinyl)-2-oxo-5-benzimidazolecarbonitrile IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-formylpiperidin-4-yl)-2-oxobenzimidazole-5-carbonitrile Traditional Name: 3-(3-chloro-4-methoxy-benzyl)-1-(1-formyl-4-piperidyl)-2-keto-benzimidazole-5-carbonitrile Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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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)C4CCN(CC4)C=O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C#N)N(C2=O)C4CCN(CC4)C=O)Cl

InChI

InChI=1S/C22H21ClN4O3/c1-30-21-5-3-16(10-18(21)23)13-26-20-11-15(12-24)2-4-19(20)27(22(26)29)17-6-8-25(14-28)9-7-17/h2-5,10-11,14,17H,6-9,13H2,1H3