4-(2,2-dimethylpropyl)-3-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one

Systemtic Name: 4-(2,2-dimethylpropyl)-3-[2-oxidanylidene-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one Openeye Name: 4-(2,2-dimethylpropyl)-3-[2-oxo-2-[4-(3-pyridylmethyl)piperazin-1-yl]ethyl]piperazin-2-one CAS Name: 4-(2,2-dimethylpropyl)-3-[2-oxo-2-[4-(3-pyridinylmethyl)-1-piperazinyl]ethyl]-2-piperazinone IUPAC Name: 4-(2,2-dimethylpropyl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one Traditional Name: 3-[2-keto-2-[4-(3-pyridylmethyl)piperazino]ethyl]-4-neopentyl-piperazin-2-one Formula: C21H33N5O2 MolecularWeight: 387.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCNC(=O)C1CC(=O)N2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)CN1CCNC(=O)C1CC(=O)N2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C21H33N5O2/c1-21(2,3)16-26-8-7-23-20(28)18(26)13-19(27)25-11-9-24(10-12-25)15-17-5-4-6-22-14-17/h4-6,14,18H,7-13,15-16H2,1-3H3,(H,23,28)