2-(4-chloranylphenoxy)-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]ethanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]ethanamide Openeye Name: 2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridyl]acetamide CAS Name: 2-(4-chlorophenoxy)-N-[6-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-3-pyridinyl]acetamide IUPAC Name: 2-(4-chlorophenoxy)-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridin-3-yl]acetamide Traditional Name: 2-(4-chlorophenoxy)-N-[6-(4-isovalerylpiperazino)-3-pyridyl]acetamide Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN4O3/c1-16(2)13-22(29)27-11-9-26(10-12-27)20-8-5-18(14-24-20)25-21(28)15-30-19-6-3-17(23)4-7-19/h3-8,14,16H,9-13,15H2,1-2H3,(H,25,28)