tert-butyl 3-[[4-ethanoyl-1-methyl-3,6-bis(oxidanylidene)piperazin-2-yl]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-ethanoyl-1-methyl-3,6-bis(oxidanylidene)piperazin-2-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(4-acetyl-1-methyl-3,6-dioxo-piperazin-2-yl)methyl]indole-1-carboxylate CAS Name: 3-[(4-acetyl-1-methyl-3,6-dioxo-2-piperazinyl)methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-acetyl-1-methyl-3,6-dioxopiperazin-2-yl)methyl]indole-1-carboxylate Traditional Name: 3-[(4-acetyl-3,6-diketo-1-methyl-piperazin-2-yl)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=O)N(C(C1=O)CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC(=O)N1CC(=O)N(C(C1=O)CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H25N3O5/c1-13(25)23-12-18(26)22(5)17(19(23)27)10-14-11-24(20(28)29-21(2,3)4)16-9-7-6-8-15(14)16/h6-9,11,17H,10,12H2,1-5H3