ethyl 4-[3-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(6-tert-amyl-3-keto-1,4-benzoxazin-4-yl)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C28H35N3O5/c1-5-28(3,4)22-10-11-24-23(17-22)31(25(32)19-36-24)18-20-8-7-9-21(16-20)26(33)29-12-14-30(15-13-29)27(34)35-6-2/h7-11,16-17H,5-6,12-15,18-19H2,1-4H3