N-[2-(azepan-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-(4-methylphenoxy)ethanamide

Systemtic Name: N-[2-(azepan-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-(4-methylphenoxy)ethanamide Openeye Name: N-[2-(azepan-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide CAS Name: N-[2-(1-azepanylmethyl)-1-butyl-5-benzimidazolyl]-2-(4-methylphenoxy)acetamide IUPAC Name: N-[2-(azepan-1-ylmethyl)-1-butylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide Traditional Name: N-[2-(azepan-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)C)N=C1CN4CCCCCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)C)N=C1CN4CCCCCC4

InChI

InChI=1S/C27H36N4O2/c1-3-4-17-31-25-14-11-22(28-27(32)20-33-23-12-9-21(2)10-13-23)18-24(25)29-26(31)19-30-15-7-5-6-8-16-30/h9-14,18H,3-8,15-17,19-20H2,1-2H3,(H,28,32)