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

Systemtic Name: 4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(2-keto-2-piperidino-ethyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C27H31N5O3 MolecularWeight: 473.56674

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O3/c33-24(30-13-7-2-8-14-30)20-29-15-17-31(18-16-29)27(35)25-22-11-5-6-12-23(22)26(34)32(28-25)19-21-9-3-1-4-10-21/h1,3-6,9-12H,2,7-8,13-20H2