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

Systemtic Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-(4-homoveratrylpiperazino)cyclohepta-2,4,6-trien-1-one Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=CC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=CC3=O)OC

InChI

InChI=1S/C21H26N2O3/c1-25-20-9-8-17(16-21(20)26-2)10-11-22-12-14-23(15-13-22)18-6-4-3-5-7-19(18)24/h3-9,16H,10-15H2,1-2H3