tert-butyl 4-(1-ethyl-2-oxidanylidene-3-piperidin-4-yl-5H-benzimidazol-4-ylidene)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-ethyl-2-oxidanylidene-3-piperidin-4-yl-5H-benzimidazol-4-ylidene)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-ethyl-2-oxo-3-(4-piperidyl)-5H-benzimidazol-4-ylidene]piperidine-1-carboxylate CAS Name: 4-[1-ethyl-2-oxo-3-(4-piperidinyl)-5H-benzimidazol-4-ylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-ethyl-2-oxo-3-piperidin-4-yl-5H-benzimidazol-4-ylidene)piperidine-1-carboxylate Traditional Name: 4-[1-ethyl-2-keto-3-(4-piperidyl)-5H-benzimidazol-4-ylidene]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H36N4O3 MolecularWeight: 428.56764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C3CCN(CC3)C(=O)OC(C)(C)C)CC=C2)N(C1=O)C4CCNCC4

Isomeric SMILES

CCN1C2=C(C(=C3CCN(CC3)C(=O)OC(C)(C)C)CC=C2)N(C1=O)C4CCNCC4

InChI

InChI=1S/C24H36N4O3/c1-5-27-20-8-6-7-19(21(20)28(22(27)29)18-9-13-25-14-10-18)17-11-15-26(16-12-17)23(30)31-24(2,3)4/h6,8,18,25H,5,7,9-16H2,1-4H3