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

Systemtic Name: tert-butyl 4-(5-cyano-2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate CAS Name: 4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-(5-cyano-2-keto-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C=C(C=C3)C#N)NC2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C3=C(C=C(C=C3)C#N)NC2=O

InChI

InChI=1S/C18H22N4O3/c1-18(2,3)25-17(24)21-8-6-13(7-9-21)22-15-5-4-12(11-19)10-14(15)20-16(22)23/h4-5,10,13H,6-9H2,1-3H3,(H,20,23)