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

Systemtic Name: 3-[[4-(4-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-[[4-(4-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 3-[[4-(4-chloro-2-methylphenyl)-1-piperazinyl]methyl]-2-hydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-[[4-(4-chloro-2-methylphenyl)piperazin-1-yl]methyl]-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 3-[[4-(4-chloro-2-methyl-phenyl)piperazino]methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C22H27ClN2O2 MolecularWeight: 386.91498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O2/c1-15(2)17-4-5-18(22(27)21(26)13-17)14-24-8-10-25(11-9-24)20-7-6-19(23)12-16(20)3/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,27)