N-[2,7-dimethyl-3,6-bis(oxidanylidene)octan-4-yl]-2-(4-pyridin-4-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[2,7-dimethyl-3,6-bis(oxidanylidene)octan-4-yl]-2-(4-pyridin-4-ylpiperazin-1-yl)ethanamide Openeye Name: N-[4-methyl-1-(2-methylpropanoyl)-3-oxo-pentyl]-2-[4-(4-pyridyl)piperazin-1-yl]acetamide CAS Name: N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-(4-pyridin-4-yl-1-piperazinyl)acetamide IUPAC Name: N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide Traditional Name: N-(1-isobutyryl-3-keto-4-methyl-pentyl)-2-[4-(4-pyridyl)piperazino]acetamide Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CC(C(=O)C(C)C)NC(=O)CN1CCN(CC1)C2=CC=NC=C2

Isomeric SMILES

CC(C)C(=O)CC(C(=O)C(C)C)NC(=O)CN1CCN(CC1)C2=CC=NC=C2

InChI

InChI=1S/C21H32N4O3/c1-15(2)19(26)13-18(21(28)16(3)4)23-20(27)14-24-9-11-25(12-10-24)17-5-7-22-8-6-17/h5-8,15-16,18H,9-14H2,1-4H3,(H,23,27)