N-[5-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[5-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxy-benzamide Openeye Name: N-[5-[1-[2-(azepan-1-yl)-2-oxo-ethyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxy-benzamide CAS Name: N-[5-[1-[2-(1-azepanyl)-2-oxoethyl]-2-benzimidazolyl]pentyl]-3,4-dimethoxybenzamide IUPAC Name: N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide Traditional Name: N-[5-[1-[2-(azepan-1-yl)-2-keto-ethyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxy-benzamide Formula: C29H38N4O4 MolecularWeight: 506.63642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCCCC2=NC3=CC=CC=C3N2CC(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCCCC2=NC3=CC=CC=C3N2CC(=O)N4CCCCCC4)OC

InChI

InChI=1S/C29H38N4O4/c1-36-25-16-15-22(20-26(25)37-2)29(35)30-17-9-5-6-14-27-31-23-12-7-8-13-24(23)33(27)21-28(34)32-18-10-3-4-11-19-32/h7-8,12-13,15-16,20H,3-6,9-11,14,17-19,21H2,1-2H3,(H,30,35)