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

Systemtic Name: N-[[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]methyl]-4-methyl-benzamide Openeye Name: N-[[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]methyl]-4-methyl-benzamide CAS Name: N-[[1-[3-(1-azepanyl)-3-oxopropyl]-2-benzimidazolyl]methyl]-4-methylbenzamide IUPAC Name: N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]-4-methylbenzamide Traditional Name: N-[[1-[3-(azepan-1-yl)-3-keto-propyl]benzimidazol-2-yl]methyl]-4-methyl-benzamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O2/c1-19-10-12-20(13-11-19)25(31)26-18-23-27-21-8-4-5-9-22(21)29(23)17-14-24(30)28-15-6-2-3-7-16-28/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,26,31)