1-but-2-ynyl-5-cyano-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazole-4-carboxylic acid

Systemtic Name: 1-but-2-ynyl-5-cyano-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazole-4-carboxylic acid Openeye Name: 2-(4-tert-butoxycarbonylpiperazin-1-yl)-1-but-2-ynyl-5-cyano-imidazole-4-carboxylic acid CAS Name: 1-but-2-ynyl-5-cyano-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-imidazolecarboxylic acid IUPAC Name: 1-but-2-ynyl-5-cyano-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazole-4-carboxylic acid Traditional Name: 2-(4-tert-butoxycarbonylpiperazino)-1-but-2-ynyl-5-cyano-imidazole-4-carboxylic acid Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=C(N=C1N2CCN(CC2)C(=O)OC(C)(C)C)C(=O)O)C#N

Isomeric SMILES

CC#CCN1C(=C(N=C1N2CCN(CC2)C(=O)OC(C)(C)C)C(=O)O)C#N

InChI

InChI=1S/C18H23N5O4/c1-5-6-7-23-13(12-19)14(15(24)25)20-16(23)21-8-10-22(11-9-21)17(26)27-18(2,3)4/h7-11H2,1-4H3,(H,24,25)