N-[2-(azepan-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-(azepan-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-(azepan-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[2-(1-azepanylmethyl)-1-butyl-5-benzimidazolyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-(azepan-1-ylmethyl)-1-butylbenzimidazol-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-(azepan-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-3,4-dimethoxy-benzamide Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O3/c1-4-5-16-31-23-12-11-21(28-27(32)20-10-13-24(33-2)25(17-20)34-3)18-22(23)29-26(31)19-30-14-8-6-7-9-15-30/h10-13,17-18H,4-9,14-16,19H2,1-3H3,(H,28,32)