N-[3-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]propyl]-3-bromanyl-benzamide

Systemtic Name: N-[3-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]propyl]-3-bromanyl-benzamide Openeye Name: N-[3-[1-[2-(azepan-1-yl)-2-oxo-ethyl]benzimidazol-2-yl]propyl]-3-bromo-benzamide CAS Name: N-[3-[1-[2-(1-azepanyl)-2-oxoethyl]-2-benzimidazolyl]propyl]-3-bromobenzamide IUPAC Name: N-[3-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-bromobenzamide Traditional Name: N-[3-[1-[2-(azepan-1-yl)-2-keto-ethyl]benzimidazol-2-yl]propyl]-3-bromo-benzamide Formula: C25H29BrN4O2 MolecularWeight: 497.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2CCCNC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2CCCNC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H29BrN4O2/c26-20-10-7-9-19(17-20)25(32)27-14-8-13-23-28-21-11-3-4-12-22(21)30(23)18-24(31)29-15-5-1-2-6-16-29/h3-4,7,9-12,17H,1-2,5-6,8,13-16,18H2,(H,27,32)