6-[4-[3-(2-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[3-(2-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazino]nicotinonitrile Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2CCN(CC2)C3=NC=C(C=C3)C#N)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2CCN(CC2)C3=NC=C(C=C3)C#N)O

InChI

InChI=1S/C20H24N4O2/c1-16-4-2-3-5-19(16)26-15-18(25)14-23-8-10-24(11-9-23)20-7-6-17(12-21)13-22-20/h2-7,13,18,25H,8-11,14-15H2,1H3