4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one

Systemtic Name: 4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(2-keto-2-pyrrolidino-ethyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O3/c31-22(28-12-6-7-13-28)18-27-14-16-29(17-15-27)25(33)23-20-10-4-5-11-21(20)24(32)30(26-23)19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2