4-(2-ethylhexanoyl)-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one

Systemtic Name: 4-(2-ethylhexanoyl)-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one Openeye Name: 4-(2-ethylhexanoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one CAS Name: 4-(2-ethyl-1-oxohexyl)-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2-piperazinone IUPAC Name: 4-(2-ethylhexanoyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one Traditional Name: 4-(2-ethylhexanoyl)-3-[2-keto-2-(4-phenylpiperazino)ethyl]piperazin-2-one Formula: C24H36N4O3 MolecularWeight: 428.56764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CC)C(=O)N1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C24H36N4O3/c1-3-5-9-19(4-2)24(31)28-13-12-25-23(30)21(28)18-22(29)27-16-14-26(15-17-27)20-10-7-6-8-11-20/h6-8,10-11,19,21H,3-5,9,12-18H2,1-2H3,(H,25,30)