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

Systemtic Name: 3-[[4-(3-methylthiophen-2-yl)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-(3-methyl-2-thienyl)piperazin-1-yl]methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-[[4-(3-methyl-2-thiophenyl)-1-piperazinyl]methyl]-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-[[4-(3-methylthiophen-2-yl)piperazin-1-yl]methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-6-isopropyl-3-[[4-(3-methyl-2-thienyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S/c1-14(2)16-4-5-17(19(24)18(23)12-16)13-21-7-9-22(10-8-21)20-15(3)6-11-25-20/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,23,24)