4-(3-methylbutyl)-3-[2-[4-[(3-methylpyridin-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-2-one

Systemtic Name: 4-(3-methylbutyl)-3-[2-[4-[(3-methylpyridin-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-2-one Openeye Name: 4-isopentyl-3-[2-[4-[(3-methyl-2-pyridyl)methyl]piperazin-1-yl]-2-oxo-ethyl]piperazin-2-one CAS Name: 4-(3-methylbutyl)-3-[2-[4-[(3-methyl-2-pyridinyl)methyl]-1-piperazinyl]-2-oxoethyl]-2-piperazinone IUPAC Name: 4-(3-methylbutyl)-3-[2-[4-[(3-methylpyridin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-2-one Traditional Name: 4-isoamyl-3-[2-keto-2-[4-[(3-methyl-2-pyridyl)methyl]piperazino]ethyl]piperazin-2-one Formula: C22H35N5O2 MolecularWeight: 401.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CN2CCN(CC2)C(=O)CC3C(=O)NCCN3CCC(C)C

Isomeric SMILES

CC1=C(N=CC=C1)CN2CCN(CC2)C(=O)CC3C(=O)NCCN3CCC(C)C

InChI

InChI=1S/C22H35N5O2/c1-17(2)6-9-26-10-8-24-22(29)20(26)15-21(28)27-13-11-25(12-14-27)16-19-18(3)5-4-7-23-19/h4-5,7,17,20H,6,8-16H2,1-3H3,(H,24,29)