tert-butyl 2-carbonocyanidoyl-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-carbonocyanidoyl-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate Openeye Name: tert-butyl 2-carbonocyanidoyl-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate CAS Name: 2-carbonocyanidoyl-4-(1-imidazolylmethyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbonocyanidoyl-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate Traditional Name: 2-carbonocyanidoyl-4-(imidazol-1-ylmethyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1C(=O)C#N)CN2C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1C(=O)C#N)CN2C=CN=C2

InChI

InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)20-6-4-12(8-13(20)14(21)9-17)10-19-7-5-18-11-19/h5,7,11-13H,4,6,8,10H2,1-3H3