tert-butyl 2-[(1,5-dimethylindol-3-yl)methyl]-4-methyl-5-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-[(1,5-dimethylindol-3-yl)methyl]-4-methyl-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 2-[(1,5-dimethylindol-3-yl)methyl]-4-methyl-5-oxo-piperazine-1-carboxylate CAS Name: 2-[(1,5-dimethyl-3-indolyl)methyl]-4-methyl-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1,5-dimethylindol-3-yl)methyl]-4-methyl-5-oxopiperazine-1-carboxylate Traditional Name: 2-[(1,5-dimethylindol-3-yl)methyl]-5-keto-4-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C2CC3CN(C(=O)CN3C(=O)OC(C)(C)C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C2CC3CN(C(=O)CN3C(=O)OC(C)(C)C)C)C

InChI

InChI=1S/C21H29N3O3/c1-14-7-8-18-17(9-14)15(11-22(18)5)10-16-12-23(6)19(25)13-24(16)20(26)27-21(2,3)4/h7-9,11,16H,10,12-13H2,1-6H3