N,N-diethyl-2-[[4-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-2-oxidanylidene-1-phenethyl-1,4-diazepan-6-yl]oxy]ethanamide

Systemtic Name: N,N-diethyl-2-[[4-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-2-oxidanylidene-1-phenethyl-1,4-diazepan-6-yl]oxy]ethanamide Openeye Name: N,N-diethyl-2-[[4-[3-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]acetamide CAS Name: N,N-diethyl-2-[[4-[[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]acetamide IUPAC Name: N,N-diethyl-2-[[4-[3-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]acetamide Traditional Name: N,N-diethyl-2-[[4-[3-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-2-keto-1-phenethyl-1,4-diazepan-6-yl]oxy]acetamide Formula: C31H39N3O5 MolecularWeight: 533.65846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1CN(CC(=O)N(C1)CCC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#CC(C)(C)O

Isomeric SMILES

CCN(CC)C(=O)COC1CN(CC(=O)N(C1)CCC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#CC(C)(C)O

InChI

InChI=1S/C31H39N3O5/c1-5-32(6-2)29(36)23-39-27-20-33(18-16-24-11-8-7-9-12-24)28(35)22-34(21-27)30(37)26-14-10-13-25(19-26)15-17-31(3,4)38/h7-14,19,27,38H,5-6,16,18,20-23H2,1-4H3