tert-butyl 3-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[[4-[3-(1H-benzimidazol-2-yl)phenyl]-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 3-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C28H35N5O3/c1-28(2,3)36-27(35)33-13-7-9-21(19-33)26(34)32-16-14-31(15-17-32)22-10-6-8-20(18-22)25-29-23-11-4-5-12-24(23)30-25/h4-6,8,10-12,18,21H,7,9,13-17,19H2,1-3H3,(H,29,30)