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

Systemtic Name: tert-butyl 3-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]carbonylazetidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazine-1-carbonyl]azetidine-1-carboxylate CAS Name: 3-[[4-[3-(1H-benzimidazol-2-yl)phenyl]-1-piperazinyl]-oxomethyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazine-1-carbonyl]azetidine-1-carboxylate Traditional Name: 3-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazine-1-carbonyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H31N5O3/c1-26(2,3)34-25(33)31-16-19(17-31)24(32)30-13-11-29(12-14-30)20-8-6-7-18(15-20)23-27-21-9-4-5-10-22(21)28-23/h4-10,15,19H,11-14,16-17H2,1-3H3,(H,27,28)