tert-butyl 4-[1-(4-imidazol-1-ylphenyl)ethyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-imidazol-1-ylphenyl)ethyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-imidazol-1-ylphenyl)ethyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[1-[4-(1-imidazolyl)phenyl]ethyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-imidazol-1-ylphenyl)ethyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[1-(4-imidazol-1-ylphenyl)ethyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)N3CCN(CC3=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)N3CCN(CC3=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H26N4O3/c1-15(16-5-7-17(8-6-16)23-10-9-21-14-23)24-12-11-22(13-18(24)25)19(26)27-20(2,3)4/h5-10,14-15H,11-13H2,1-4H3