2-[(4-cyclohex-3-en-1-ylcarbonyl-2-oxidanylidene-1-phenethyl-1,4-diazepan-6-yl)oxy]-N,N-diethyl-ethanamide

Systemtic Name: 2-[(4-cyclohex-3-en-1-ylcarbonyl-2-oxidanylidene-1-phenethyl-1,4-diazepan-6-yl)oxy]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-(cyclohex-3-ene-1-carbonyl)-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-acetamide CAS Name: 2-[[4-[1-cyclohex-3-enyl(oxo)methyl]-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethylacetamide IUPAC Name: 2-[[4-(cyclohex-3-ene-1-carbonyl)-2-oxo-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethylacetamide Traditional Name: 2-[[4-(cyclohex-3-ene-1-carbonyl)-2-keto-1-phenethyl-1,4-diazepan-6-yl]oxy]-N,N-diethyl-acetamide Formula: C26H37N3O4 MolecularWeight: 455.58968

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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)C3CCC=CC3

Isomeric SMILES

CCN(CC)C(=O)COC1CN(CC(=O)N(C1)CCC2=CC=CC=C2)C(=O)C3CCC=CC3

InChI

InChI=1S/C26H37N3O4/c1-3-27(4-2)25(31)20-33-23-17-28(16-15-21-11-7-5-8-12-21)24(30)19-29(18-23)26(32)22-13-9-6-10-14-22/h5-9,11-12,22-23H,3-4,10,13-20H2,1-2H3