tert-butyl 4-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[[4-(2-methyl-1-imidazolyl)phenyl]methyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 3-keto-4-[4-(2-methylimidazol-1-yl)benzyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)CN3CCN(CC3=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)CN3CCN(CC3=O)C(=O)OC(C)(C)C

InChI

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