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

Systemtic Name: 3-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 3-[[4-(2-ethylphenyl)-1-piperazinyl]methyl]-2-hydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-[[4-(2-ethylphenyl)piperazin-1-yl]methyl]-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 3-[[4-(2-ethylphenyl)piperazino]methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CCN(CC2)CC3=C(C(=O)C=C(C=C3)C(C)C)O

Isomeric SMILES

CCC1=CC=CC=C1N2CCN(CC2)CC3=C(C(=O)C=C(C=C3)C(C)C)O

InChI

InChI=1S/C23H30N2O2/c1-4-18-7-5-6-8-21(18)25-13-11-24(12-14-25)16-20-10-9-19(17(2)3)15-22(26)23(20)27/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,26,27)