4-[[2-(3-azanylpropyl)-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(3-azanylpropyl)-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-(3-aminopropyl)-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[2-(3-aminopropyl)-5,6-dimethoxy-1-benzimidazolyl]methyl]benzonitrile IUPAC Name: 4-[[2-(3-aminopropyl)-5,6-dimethoxybenzimidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[2-(3-aminopropyl)-5,6-dimethoxy-benzimidazol-1-yl]methyl]benzonitrile Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CC3=CC=C(C=C3)C#N)CCCN)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2CC3=CC=C(C=C3)C#N)CCCN)OC

InChI

InChI=1S/C20H22N4O2/c1-25-18-10-16-17(11-19(18)26-2)24(20(23-16)4-3-9-21)13-15-7-5-14(12-22)6-8-15/h5-8,10-11H,3-4,9,13,21H2,1-2H3