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

Systemtic Name: 3-[[4-(3-methylphenyl)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-(m-tolyl)piperazin-1-yl]methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-6-isopropyl-3-[[4-(m-tolyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC3=C(C(=O)C=C(C=C3)C(C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC3=C(C(=O)C=C(C=C3)C(C)C)O

InChI

InChI=1S/C22H28N2O2/c1-16(2)18-7-8-19(22(26)21(25)14-18)15-23-9-11-24(12-10-23)20-6-4-5-17(3)13-20/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,25,26)