tert-butyl 4-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[3-(1H-benzimidazol-2-yl)-1-oxopropyl]-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-[3-(1H-benzimidazol-2-yl)propanoyl]nipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H35N5O4 MolecularWeight: 469.5765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)C(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)C(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H35N5O4/c1-25(2,3)34-24(33)29-15-13-28(14-16-29)23(32)18-7-6-12-30(17-18)22(31)11-10-21-26-19-8-4-5-9-20(19)27-21/h4-5,8-9,18H,6-7,10-17H2,1-3H3,(H,26,27)