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

Systemtic Name: 2-[4-[2-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-[2-(4-hydroxy-3-methoxy-phenyl)-2-oxo-ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-[2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-[2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-[2-(4-hydroxy-3-methoxy-phenyl)-2-keto-ethyl]piperazino]cyclohepta-2,4,6-trien-1-one Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-26-20-13-15(7-8-18(20)24)19(25)14-21-9-11-22(12-10-21)16-5-3-2-4-6-17(16)23/h2-8,13,24H,9-12,14H2,1H3