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

Systemtic Name: N-[3-[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]propyl]-4-bromanyl-benzamide Openeye Name: N-[3-[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]propyl]-4-bromo-benzamide CAS Name: N-[3-[1-[3-(1-azepanyl)-3-oxopropyl]-2-benzimidazolyl]propyl]-4-bromobenzamide IUPAC Name: N-[3-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]propyl]-4-bromobenzamide Traditional Name: N-[3-[1-[3-(azepan-1-yl)-3-keto-propyl]benzimidazol-2-yl]propyl]-4-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=C(C=C4)Br

Isomeric SMILES

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

InChI

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