1-(3-methylbutyl)-2-(phenylmethoxymethyl)benzimidazole-5-carbonitrile

Systemtic Name: 1-(3-methylbutyl)-2-(phenylmethoxymethyl)benzimidazole-5-carbonitrile Openeye Name: 2-(benzyloxymethyl)-1-isopentyl-benzimidazole-5-carbonitrile CAS Name: 1-(3-methylbutyl)-2-(phenylmethoxymethyl)-5-benzimidazolecarbonitrile IUPAC Name: 1-(3-methylbutyl)-2-(phenylmethoxymethyl)benzimidazole-5-carbonitrile Traditional Name: 2-(benzoxymethyl)-1-isoamyl-benzimidazole-5-carbonitrile Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)C#N)N=C1COCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)C#N)N=C1COCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O/c1-16(2)10-11-24-20-9-8-18(13-22)12-19(20)23-21(24)15-25-14-17-6-4-3-5-7-17/h3-9,12,16H,10-11,14-15H2,1-2H3