tert-butyl 4-[2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]anilino]-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H30N4O6/c1-25(2,3)35-24(32)29-12-10-28(11-13-29)15-22(30)27-19-7-5-4-6-18(19)23(31)26-17-8-9-20-21(14-17)34-16-33-20/h4-9,14H,10-13,15-16H2,1-3H3,(H,26,31)(H,27,30)