2-[2-[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[2-[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[2-[(3S)-3-(3,4-dimethoxybenzoyl)-1-piperidyl]-2-oxo-ethyl]-4-methyl-phthalazin-1-one CAS Name: 2-[2-[(3S)-3-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperidinyl]-2-oxoethyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[2-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one Traditional Name: 2-[2-keto-2-[(3S)-3-veratroylpiperidino]ethyl]-4-methyl-phthalazin-1-one Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCCC(C3)C(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCC[C@@H](C3)C(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H27N3O5/c1-16-19-8-4-5-9-20(19)25(31)28(26-16)15-23(29)27-12-6-7-18(14-27)24(30)17-10-11-21(32-2)22(13-17)33-3/h4-5,8-11,13,18H,6-7,12,14-15H2,1-3H3/t18-/m0/s1