tert-butyl 4-[[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-[3-(1-methyl-2-benzimidazolyl)phenyl]-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H39N5O2 MolecularWeight: 489.65226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2)C3=CC=CC(=C3)C4=NC5=CC=CC=C5N4C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2)C3=CC=CC(=C3)C4=NC5=CC=CC=C5N4C

InChI

InChI=1S/C29H39N5O2/c1-29(2,3)36-28(35)34-14-12-22(13-15-34)21-32-16-18-33(19-17-32)24-9-7-8-23(20-24)27-30-25-10-5-6-11-26(25)31(27)4/h5-11,20,22H,12-19,21H2,1-4H3