tert-butyl 4-[4-[(4-methylphenyl)methyl]-2,3-bis(oxidanylidene)piperazin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-methylphenyl)methyl]-2,3-bis(oxidanylidene)piperazin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-methylphenyl)methyl]-2,3-dioxo-1-piperazinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[2,3-diketo-4-(4-methylbenzyl)piperazino]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(C(=O)C2=O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(C(=O)C2=O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N3O4/c1-16-5-7-17(8-6-16)15-24-13-14-25(20(27)19(24)26)18-9-11-23(12-10-18)21(28)29-22(2,3)4/h5-8,18H,9-15H2,1-4H3