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

Systemtic Name: 4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-2H-phthalazin-1-one Openeye Name: 4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(1-oxopropyl)-1,4-diazepan-1-yl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-2H-phthalazin-1-one Traditional Name: 4-[(4-propionyl-1,4-diazepan-1-yl)methyl]-2H-phthalazin-1-one Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN(CC1)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCC(=O)N1CCCN(CC1)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H22N4O2/c1-2-16(22)21-9-5-8-20(10-11-21)12-15-13-6-3-4-7-14(13)17(23)19-18-15/h3-4,6-7H,2,5,8-12H2,1H3,(H,19,23)