6-[2-(azepan-1-yl)ethoxy]-2-(3-methylphenyl)-1-(phenylmethyl)benzimidazole

Systemtic Name: 6-[2-(azepan-1-yl)ethoxy]-2-(3-methylphenyl)-1-(phenylmethyl)benzimidazole Openeye Name: 6-[2-(azepan-1-yl)ethoxy]-1-benzyl-2-(m-tolyl)benzimidazole CAS Name: 6-[2-(1-azepanyl)ethoxy]-2-(3-methylphenyl)-1-(phenylmethyl)benzimidazole IUPAC Name: 6-[2-(azepan-1-yl)ethoxy]-1-benzyl-2-(3-methylphenyl)benzimidazole Traditional Name: 6-[2-(azepan-1-yl)ethoxy]-1-benzyl-2-(m-tolyl)benzimidazole Formula: C29H33N3O MolecularWeight: 439.59182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(N2CC4=CC=CC=C4)C=C(C=C3)OCCN5CCCCCC5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(N2CC4=CC=CC=C4)C=C(C=C3)OCCN5CCCCCC5

InChI

InChI=1S/C29H33N3O/c1-23-10-9-13-25(20-23)29-30-27-15-14-26(33-19-18-31-16-7-2-3-8-17-31)21-28(27)32(29)22-24-11-5-4-6-12-24/h4-6,9-15,20-21H,2-3,7-8,16-19,22H2,1H3