N-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]-4-bromanyl-benzamide

Systemtic Name: N-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]-4-bromanyl-benzamide Openeye Name: N-[[1-[2-(azepan-1-yl)-2-oxo-ethyl]benzimidazol-2-yl]methyl]-4-bromo-benzamide CAS Name: N-[[1-[2-(1-azepanyl)-2-oxoethyl]-2-benzimidazolyl]methyl]-4-bromobenzamide IUPAC Name: N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-bromobenzamide Traditional Name: N-[[1-[2-(azepan-1-yl)-2-keto-ethyl]benzimidazol-2-yl]methyl]-4-bromo-benzamide Formula: C23H25BrN4O2 MolecularWeight: 469.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2CNC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2CNC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H25BrN4O2/c24-18-11-9-17(10-12-18)23(30)25-15-21-26-19-7-3-4-8-20(19)28(21)16-22(29)27-13-5-1-2-6-14-27/h3-4,7-12H,1-2,5-6,13-16H2,(H,25,30)