3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]piperazin-2-one

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]piperazin-2-one Openeye Name: 4-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-2-piperazinone IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one Traditional Name: 4-[2-(4-benzylpiperidino)-2-keto-ethyl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-2-one Formula: C29H35N5O2 MolecularWeight: 485.6205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H35N5O2/c1-21-27(22(2)34(31-21)25-11-7-4-8-12-25)28-29(36)30-15-18-33(28)20-26(35)32-16-13-24(14-17-32)19-23-9-5-3-6-10-23/h3-12,24,28H,13-20H2,1-2H3,(H,30,36)