4-[[4-[(3-methylphenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]carbonyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[4-[(3-methylphenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]carbonyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(m-tolylmethyl)-5-oxo-1,4-diazepane-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(3-methylphenyl)methyl]-5-oxo-1,4-diazepan-1-yl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[(3-methylphenyl)methyl]-5-oxo-1,4-diazepane-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[5-keto-4-(3-methylbenzyl)-1,4-diazepane-1-carbonyl]-2H-phthalazin-1-one Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H22N4O3/c1-15-5-4-6-16(13-15)14-26-12-11-25(10-9-19(26)27)22(29)20-17-7-2-3-8-18(17)21(28)24-23-20/h2-8,13H,9-12,14H2,1H3,(H,24,28)