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

Systemtic Name: 3-[(3-methyl-4-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-[(3-methyl-4-phenyl-piperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-[(3-methyl-4-phenyl-1-piperazinyl)methyl]-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-[(3-methyl-4-phenylpiperazin-1-yl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-6-isopropyl-3-[(3-methyl-4-phenyl-piperazino)methyl]cyclohepta-2,4,6-trien-1-one Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC=C2)CC3=C(C(=O)C=C(C=C3)C(C)C)O

Isomeric SMILES

CC1CN(CCN1C2=CC=CC=C2)CC3=C(C(=O)C=C(C=C3)C(C)C)O

InChI

InChI=1S/C22H28N2O2/c1-16(2)18-9-10-19(22(26)21(25)13-18)15-23-11-12-24(17(3)14-23)20-7-5-4-6-8-20/h4-10,13,16-17H,11-12,14-15H2,1-3H3,(H,25,26)