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

Systemtic Name: 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-6-isopropyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-6-isopropyl-3-[[4-(2-methoxyphenyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3OC)O

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3OC)O

InChI

InChI=1S/C22H28N2O3/c1-16(2)17-8-9-18(22(26)20(25)14-17)15-23-10-12-24(13-11-23)19-6-4-5-7-21(19)27-3/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,26)