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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1COCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)[N+]#[C-])N=C1COCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O/c1-16(2)11-12-24-20-10-9-18(22-3)13-19(20)23-21(24)15-25-14-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-2H3