tert-butyl 4-[3-[[4-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-2-phenethyl-1H-2-benzazepin-7-yl]oxy]propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[4-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-2-phenethyl-1H-2-benzazepin-7-yl]oxy]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[4-(2-ethoxy-2-oxo-ethyl)-3-oxo-2-phenethyl-1H-2-benzazepin-7-yl]oxy]propyl]piperazine-1-carboxylate CAS Name: 4-[3-[[4-(2-ethoxy-2-oxoethyl)-3-oxo-2-phenethyl-1H-2-benzazepin-7-yl]oxy]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[4-(2-ethoxy-2-oxoethyl)-3-oxo-2-phenethyl-1H-2-benzazepin-7-yl]oxy]propyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[4-(2-ethoxy-2-keto-ethyl)-3-keto-2-phenethyl-1H-2-benzazepin-7-yl]oxy]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C34H45N3O6 MolecularWeight: 591.7376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC2=C(CN(C1=O)CCC3=CC=CC=C3)C=CC(=C2)OCCCN4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CC1=CC2=C(CN(C1=O)CCC3=CC=CC=C3)C=CC(=C2)OCCCN4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C34H45N3O6/c1-5-41-31(38)24-29-22-28-23-30(13-12-27(28)25-37(32(29)39)16-14-26-10-7-6-8-11-26)42-21-9-15-35-17-19-36(20-18-35)33(40)43-34(2,3)4/h6-8,10-13,22-23H,5,9,14-21,24-25H2,1-4H3