2-[4-[1-(3,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[4-[1-(3,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-[2-(3,4-dimethoxyphenyl)-1-methyl-2-oxo-ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-[1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-[1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-[2-(3,4-dimethoxyphenyl)-2-keto-1-methyl-ethyl]piperazino]cyclohepta-2,4,6-trien-1-one Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)OC)OC)N2CCN(CC2)C3=CC=CC=CC3=O

Isomeric SMILES

CC(C(=O)C1=CC(=C(C=C1)OC)OC)N2CCN(CC2)C3=CC=CC=CC3=O

InChI

InChI=1S/C22H26N2O4/c1-16(22(26)17-9-10-20(27-2)21(15-17)28-3)23-11-13-24(14-12-23)18-7-5-4-6-8-19(18)25/h4-10,15-16H,11-14H2,1-3H3