tert-butyl 4-[4-[2-(3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethanoyloxy]but-3-ynyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-(3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethanoyloxy]but-3-ynyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetyl]oxybut-3-ynyl]piperazine-1-carboxylate CAS Name: 4-[4-[1-oxo-2-(3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethoxy]but-3-ynyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetyl]oxybut-3-ynyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetyl]oxybut-3-ynyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C33H41N3O5 MolecularWeight: 559.69574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCC#COC(=O)CC2CC3=CC=CC=C3CN(C2=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC#COC(=O)CC2CC3=CC=CC=C3CN(C2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C33H41N3O5/c1-33(2,3)41-32(39)35-20-18-34(19-21-35)16-9-10-22-40-30(37)24-29-23-27-13-7-8-14-28(27)25-36(31(29)38)17-15-26-11-5-4-6-12-26/h4-8,11-14,29H,9,15-21,23-25H2,1-3H3