3-[[5-cyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole-5-carbonitrile

Systemtic Name: 3-[[5-cyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole-5-carbonitrile Openeye Name: 3-[(5-cyano-1-isopentyl-benzimidazol-2-yl)methyl]benzotriazole-5-carbonitrile CAS Name: 3-[[5-cyano-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-5-benzotriazolecarbonitrile IUPAC Name: 3-[[5-cyano-1-(3-methylbutyl)benzimidazol-2-yl]methyl]benzotriazole-5-carbonitrile Traditional Name: 3-[(5-cyano-1-isoamyl-benzimidazol-2-yl)methyl]benzotriazole-5-carbonitrile Formula: C21H19N7 MolecularWeight: 369.42246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)C#N)N=C1CN3C4=C(C=CC(=C4)C#N)N=N3

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)C#N)N=C1CN3C4=C(C=CC(=C4)C#N)N=N3

InChI

InChI=1S/C21H19N7/c1-14(2)7-8-27-19-6-4-15(11-22)9-18(19)24-21(27)13-28-20-10-16(12-23)3-5-17(20)25-26-28/h3-6,9-10,14H,7-8,13H2,1-2H3