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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCNC(=O)C1CC(=O)N2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC(C)CCN1CCNC(=O)C1CC(=O)N2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C21H33N5O2/c1-17(2)5-8-25-9-7-23-21(28)19(25)14-20(27)26-12-10-24(11-13-26)16-18-4-3-6-22-15-18/h3-4,6,15,17,19H,5,7-14,16H2,1-2H3,(H,23,28)