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

Systemtic Name: 4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(2-keto-2-piperidino-ethyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O3/c32-23(29-13-7-2-8-14-29)19-28-15-17-30(18-16-28)26(34)24-21-11-5-6-12-22(21)25(33)31(27-24)20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-19H2