2-butoxy-7-[[4-(phenylcarbonyl)piperidin-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-butoxy-7-[[4-(phenylcarbonyl)piperidin-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[(4-benzoyl-1-piperidyl)methyl]-2-butoxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[(4-benzoyl-1-piperidinyl)methyl]-2-butoxy-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-benzoylpiperidin-1-yl)methyl]-2-butoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-[(4-benzoylpiperidino)methyl]-2-butoxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C(C1=O)CN2CCC(CC2)C(=O)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCCCOC1=CC(=CC=C(C1=O)CN2CCC(CC2)C(=O)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C27H35NO3/c1-4-5-17-31-25-18-23(20(2)3)11-12-24(27(25)30)19-28-15-13-22(14-16-28)26(29)21-9-7-6-8-10-21/h6-12,18,20,22H,4-5,13-17,19H2,1-3H3