4-[2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(2,4-dimethylbenzoyl)-1-piperidyl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-(2,4-dimethylbenzoyl)piperidino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C24H25N3O3 MolecularWeight: 403.4736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C24H25N3O3/c1-15-7-8-18(16(2)13-15)23(29)17-9-11-27(12-10-17)22(28)14-21-19-5-3-4-6-20(19)24(30)26-25-21/h3-8,13,17H,9-12,14H2,1-2H3,(H,26,30)