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

Systemtic Name: 2-(4-chloranylphenoxy)-N-[6-[4-(2-oxidanylbutyl)piperazin-1-yl]pyridin-3-yl]ethanamide Openeye Name: 2-(4-chlorophenoxy)-N-[6-[4-(2-hydroxybutyl)piperazin-1-yl]-3-pyridyl]acetamide CAS Name: 2-(4-chlorophenoxy)-N-[6-[4-(2-hydroxybutyl)-1-piperazinyl]-3-pyridinyl]acetamide IUPAC Name: 2-(4-chlorophenoxy)-N-[6-[4-(2-hydroxybutyl)piperazin-1-yl]pyridin-3-yl]acetamide Traditional Name: 2-(4-chlorophenoxy)-N-[6-[4-(2-hydroxybutyl)piperazino]-3-pyridyl]acetamide Formula: C21H27ClN4O3 MolecularWeight: 418.91708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCC(CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H27ClN4O3/c1-2-18(27)14-25-9-11-26(12-10-25)20-8-5-17(13-23-20)24-21(28)15-29-19-6-3-16(22)4-7-19/h3-8,13,18,27H,2,9-12,14-15H2,1H3,(H,24,28)