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

Systemtic Name: 3-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 3-[[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]methyl]-2-hydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 3-[[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C28H31ClN2O2 MolecularWeight: 463.01094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C28H31ClN2O2/c1-20(2)23-8-9-24(28(33)26(32)18-23)19-30-14-16-31(17-15-30)27(21-6-4-3-5-7-21)22-10-12-25(29)13-11-22/h3-13,18,20,27H,14-17,19H2,1-2H3,(H,32,33)