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

Systemtic Name: 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 3-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-2-hydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 3-[[4-(2-chlorophenyl)piperazino]methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C21H25ClN2O2 MolecularWeight: 372.8884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3Cl)O

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3Cl)O

InChI

InChI=1S/C21H25ClN2O2/c1-15(2)16-7-8-17(21(26)20(25)13-16)14-23-9-11-24(12-10-23)19-6-4-3-5-18(19)22/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26)