tert-butyl 4-[1-but-2-ynyl-5-cyano-4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]imidazol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-but-2-ynyl-5-cyano-4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]imidazol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-but-2-ynyl-5-cyano-4-[(E)-3-ethoxy-3-oxo-prop-1-enyl]imidazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[1-but-2-ynyl-5-cyano-4-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-imidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-but-2-ynyl-5-cyano-4-[(E)-3-ethoxy-3-oxoprop-1-enyl]imidazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[1-but-2-ynyl-5-cyano-4-[(E)-3-ethoxy-3-keto-prop-1-enyl]imidazol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(N(C(=N1)N2CCN(CC2)C(=O)OC(C)(C)C)CC#CC)C#N

Isomeric SMILES

CCOC(=O)/C=C/C1=C(N(C(=N1)N2CCN(CC2)C(=O)OC(C)(C)C)CC#CC)C#N

InChI

InChI=1S/C22H29N5O4/c1-6-8-11-27-18(16-23)17(9-10-19(28)30-7-2)24-20(27)25-12-14-26(15-13-25)21(29)31-22(3,4)5/h9-10H,7,11-15H2,1-5H3/b10-9+