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

Systemtic Name: 2-oxidanyl-3-[(4-phenylpiperazin-1-yl)methyl]-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-6-isopropyl-3-[(4-phenylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-[(4-phenyl-1-piperazinyl)methyl]-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-[(4-phenylpiperazin-1-yl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-6-isopropyl-3-[(4-phenylpiperazino)methyl]cyclohepta-2,4,6-trien-1-one Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-16(2)17-8-9-18(21(25)20(24)14-17)15-22-10-12-23(13-11-22)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,25)