4-[[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-1-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-1-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-1-yl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[1-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,4-diazepan-1-yl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-1-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-1-yl]methyl]-2H-phthalazin-1-one Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC2=NC(=NO2)C3=CC=CC=C3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC2=NC(=NO2)C3=CC=CC=C3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H26N6O3/c32-23(12-11-22-26-24(29-34-22)18-7-2-1-3-8-18)31-14-6-13-30(15-16-31)17-21-19-9-4-5-10-20(19)25(33)28-27-21/h1-5,7-10H,6,11-17H2,(H,28,33)