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

Systemtic Name: tert-butyl 3-[[1-methyl-3,6-bis(oxidanylidene)piperazin-2-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(1-methyl-3,6-dioxo-piperazin-2-yl)methyl]indole-1-carboxylate CAS Name: 3-[(1-methyl-3,6-dioxo-2-piperazinyl)methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1-methyl-3,6-dioxopiperazin-2-yl)methyl]indole-1-carboxylate Traditional Name: 3-[(3,6-diketo-1-methyl-piperazin-2-yl)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC3C(=O)NCC(=O)N3C

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC3C(=O)NCC(=O)N3C

InChI

InChI=1S/C19H23N3O4/c1-19(2,3)26-18(25)22-11-12(13-7-5-6-8-14(13)22)9-15-17(24)20-10-16(23)21(15)4/h5-8,11,15H,9-10H2,1-4H3,(H,20,24)