7-[[4-(4-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-2-ethoxy-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 7-[[4-(4-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-2-ethoxy-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[[4-(4-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-2-ethoxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(4-chloro-2-methylphenyl)-1-piperazinyl]methyl]-2-ethoxy-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[[4-(4-chloro-2-methylphenyl)piperazin-1-yl]methyl]-2-ethoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-[[4-(4-chloro-2-methyl-phenyl)piperazino]methyl]-2-ethoxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C24H31ClN2O2 MolecularWeight: 414.96814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=C(C=C(C=C3)Cl)C)C(C)C

Isomeric SMILES

CCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=C(C=C(C=C3)Cl)C)C(C)C

InChI

InChI=1S/C24H31ClN2O2/c1-5-29-23-15-19(17(2)3)6-7-20(24(23)28)16-26-10-12-27(13-11-26)22-9-8-21(25)14-18(22)4/h6-9,14-15,17H,5,10-13,16H2,1-4H3