tert-butyl 4-[[2-(1,3-benzodioxol-5-yl)-1H-indol-4-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(1,3-benzodioxol-5-yl)-1H-indol-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-1H-indole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(1,3-benzodioxol-5-yl)-1H-indol-4-yl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-1H-indole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-1H-indole-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C3C=C(NC3=CC=C2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C3C=C(NC3=CC=C2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O5/c1-25(2,3)33-24(30)28-11-9-27(10-12-28)23(29)17-5-4-6-19-18(17)14-20(26-19)16-7-8-21-22(13-16)32-15-31-21/h4-8,13-14,26H,9-12,15H2,1-3H3