1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-bromophenyl)butane-1,4-dione

Systemtic Name: 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-bromophenyl)butane-1,4-dione Openeye Name: 1-[3-(1H-benzimidazol-2-yl)-1-piperidyl]-4-(4-bromophenyl)butane-1,4-dione CAS Name: 1-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-4-(4-bromophenyl)butane-1,4-dione IUPAC Name: 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-bromophenyl)butane-1,4-dione Traditional Name: 1-[3-(1H-benzimidazol-2-yl)piperidino]-4-(4-bromophenyl)butane-1,4-dione Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC(=O)C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC(=O)C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H22BrN3O2/c23-17-9-7-15(8-10-17)20(27)11-12-21(28)26-13-3-4-16(14-26)22-24-18-5-1-2-6-19(18)25-22/h1-2,5-10,16H,3-4,11-14H2,(H,24,25)