2-[2-oxidanylidene-2-[3-(phenylcarbonyl)piperidin-1-yl]ethyl]-5-piperazin-1-yl-pyridazin-3-one

Systemtic Name: 2-[2-oxidanylidene-2-[3-(phenylcarbonyl)piperidin-1-yl]ethyl]-5-piperazin-1-yl-pyridazin-3-one Openeye Name: 2-[2-(3-benzoyl-1-piperidyl)-2-oxo-ethyl]-5-piperazin-1-yl-pyridazin-3-one CAS Name: 2-[2-(3-benzoyl-1-piperidinyl)-2-oxoethyl]-5-(1-piperazinyl)-3-pyridazinone IUPAC Name: 2-[2-(3-benzoylpiperidin-1-yl)-2-oxoethyl]-5-piperazin-1-ylpyridazin-3-one Traditional Name: 2-[2-(3-benzoylpiperidino)-2-keto-ethyl]-5-piperazino-pyridazin-3-one Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C(=O)C=C(C=N2)N3CCNCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)CN2C(=O)C=C(C=N2)N3CCNCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O3/c28-20-13-19(25-11-8-23-9-12-25)14-24-27(20)16-21(29)26-10-4-7-18(15-26)22(30)17-5-2-1-3-6-17/h1-3,5-6,13-14,18,23H,4,7-12,15-16H2