tert-butyl 4-[1-(2-cyanoethyl)-2-(2-ethoxy-2-oxidanylidene-ethyl)benzimidazol-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2-cyanoethyl)-2-(2-ethoxy-2-oxidanylidene-ethyl)benzimidazol-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-cyanoethyl)-2-(2-ethoxy-2-oxo-ethyl)benzimidazol-4-yl]piperazine-1-carboxylate CAS Name: 4-[1-(2-cyanoethyl)-2-(2-ethoxy-2-oxoethyl)-4-benzimidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-cyanoethyl)-2-(2-ethoxy-2-oxoethyl)benzimidazol-4-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-cyanoethyl)-2-(2-ethoxy-2-keto-ethyl)benzimidazol-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC2=C(N1CCC#N)C=CC=C2N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CC1=NC2=C(N1CCC#N)C=CC=C2N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H31N5O4/c1-5-31-20(29)16-19-25-21-17(8-6-9-18(21)28(19)11-7-10-24)26-12-14-27(15-13-26)22(30)32-23(2,3)4/h6,8-9H,5,7,11-16H2,1-4H3