2-[4-[2-(3-methoxyphenyl)-2-oxidanyl-ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[4-[2-(3-methoxyphenyl)-2-oxidanyl-ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazino]cyclohepta-2,4,6-trien-1-one Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CN2CCN(CC2)C3=CC=CC=CC3=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(CN2CCN(CC2)C3=CC=CC=CC3=O)O

InChI

InChI=1S/C20H24N2O3/c1-25-17-7-5-6-16(14-17)20(24)15-21-10-12-22(13-11-21)18-8-3-2-4-9-19(18)23/h2-9,14,20,24H,10-13,15H2,1H3