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

Systemtic Name: N-[3-[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]propyl]-3-bromanyl-benzamide Openeye Name: N-[3-[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]propyl]-3-bromo-benzamide CAS Name: N-[3-[1-[3-(1-azepanyl)-3-oxopropyl]-2-benzimidazolyl]propyl]-3-bromobenzamide IUPAC Name: N-[3-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]propyl]-3-bromobenzamide Traditional Name: N-[3-[1-[3-(azepan-1-yl)-3-keto-propyl]benzimidazol-2-yl]propyl]-3-bromo-benzamide Formula: C26H31BrN4O2 MolecularWeight: 511.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C3=CC=CC=C3N=C2CCCNC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C3=CC=CC=C3N=C2CCCNC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H31BrN4O2/c27-21-10-7-9-20(19-21)26(33)28-15-8-13-24-29-22-11-3-4-12-23(22)31(24)18-14-25(32)30-16-5-1-2-6-17-30/h3-4,7,9-12,19H,1-2,5-6,8,13-18H2,(H,28,33)