3-[[4-(4-methoxy-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-methoxy-2-methyl-phenyl)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-(4-methoxy-2-methyl-phenyl)piperazin-1-yl]methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-[[4-(4-methoxy-2-methylphenyl)-1-piperazinyl]methyl]-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-[[4-(4-methoxy-2-methylphenyl)piperazin-1-yl]methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-6-isopropyl-3-[[4-(4-methoxy-2-methyl-phenyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one Formula: C23H30N2O3 MolecularWeight: 382.4959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3/c1-16(2)18-5-6-19(23(27)22(26)14-18)15-24-9-11-25(12-10-24)21-8-7-20(28-4)13-17(21)3/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,26,27)