N-[[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[1-[3-(1-azepanyl)-3-oxopropyl]-2-benzimidazolyl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[1-[3-(azepan-1-yl)-3-keto-propyl]benzimidazol-2-yl]methyl]-3,4-dimethoxy-benzamide Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4)OC

InChI

InChI=1S/C26H32N4O4/c1-33-22-12-11-19(17-23(22)34-2)26(32)27-18-24-28-20-9-5-6-10-21(20)30(24)16-13-25(31)29-14-7-3-4-8-15-29/h5-6,9-12,17H,3-4,7-8,13-16,18H2,1-2H3,(H,27,32)