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

Systemtic Name: 2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-oxidanyl-ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]piperazino]cyclohepta-2,4,6-trien-1-one Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CN2CCN(CC2)C3=CC=CC=CC3=O)O)OC

InChI

InChI=1S/C21H26N2O4/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24/h3-9,14,19,25H,10-13,15H2,1-2H3/t19-/m1/s1