4-[2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-piperidyl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[[2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-1-piperidinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(2-methylolpyrrolidine-1-carbonyl)piperidino]ethyl]-2H-phthalazin-1-one Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43)CO

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43)CO

InChI

InChI=1S/C21H26N4O4/c26-13-15-4-3-9-25(15)21(29)14-7-10-24(11-8-14)19(27)12-18-16-5-1-2-6-17(16)20(28)23-22-18/h1-2,5-6,14-15,26H,3-4,7-13H2,(H,23,28)