4-[(4-ethanoyl-1,4-diazepan-1-yl)carbonyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[(4-ethanoyl-1,4-diazepan-1-yl)carbonyl]-2-methyl-phthalazin-1-one Openeye Name: 4-(4-acetyl-1,4-diazepane-1-carbonyl)-2-methyl-phthalazin-1-one CAS Name: 4-[(4-acetyl-1,4-diazepan-1-yl)-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-(4-acetyl-1,4-diazepane-1-carbonyl)-2-methylphthalazin-1-one Traditional Name: 4-(4-acetyl-1,4-diazepane-1-carbonyl)-2-methyl-phthalazin-1-one Formula: C17H20N4O3 MolecularWeight: 328.3657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C17H20N4O3/c1-12(22)20-8-5-9-21(11-10-20)17(24)15-13-6-3-4-7-14(13)16(23)19(2)18-15/h3-4,6-7H,5,8-11H2,1-2H3