tert-butyl 4-[3-oxidanylidene-4-(2-oxidanylidene-2-propylperoxy-ethyl)-2-phenethyl-1H-2-benzazepin-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-oxidanylidene-4-(2-oxidanylidene-2-propylperoxy-ethyl)-2-phenethyl-1H-2-benzazepin-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-oxo-4-(2-oxo-2-propylperoxy-ethyl)-2-phenethyl-1H-2-benzazepin-5-yl]piperazine-1-carboxylate CAS Name: 4-[3-oxo-4-(2-oxo-2-propyldioxyethyl)-2-phenethyl-1H-2-benzazepin-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-oxo-4-(2-oxo-2-propylperoxyethyl)-2-phenethyl-1H-2-benzazepin-5-yl]piperazine-1-carboxylate Traditional Name: 4-[3-keto-4-(2-keto-2-propylperoxy-ethyl)-2-phenethyl-1H-2-benzazepin-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C32H41N3O6 MolecularWeight: 563.68444

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Descriptors Computed from Structure

Canonical SMILES:

CCCOOC(=O)CC1=C(C2=CC=CC=C2CN(C1=O)CCC3=CC=CC=C3)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCCOOC(=O)CC1=C(C2=CC=CC=C2CN(C1=O)CCC3=CC=CC=C3)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H41N3O6/c1-5-21-39-41-28(36)22-27-29(33-17-19-34(20-18-33)31(38)40-32(2,3)4)26-14-10-9-13-25(26)23-35(30(27)37)16-15-24-11-7-6-8-12-24/h6-14H,5,15-23H2,1-4H3