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

Systemtic Name: 2-butoxy-7-[[4-(phenylmethyl)piperidin-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[(4-benzyl-1-piperidyl)methyl]-2-butoxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 2-butoxy-7-[[4-(phenylmethyl)-1-piperidinyl]methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-benzylpiperidin-1-yl)methyl]-2-butoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-[(4-benzylpiperidino)methyl]-2-butoxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C27H37NO2 MolecularWeight: 407.58818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C(C1=O)CN2CCC(CC2)CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCCCOC1=CC(=CC=C(C1=O)CN2CCC(CC2)CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C27H37NO2/c1-4-5-17-30-26-19-24(21(2)3)11-12-25(27(26)29)20-28-15-13-23(14-16-28)18-22-9-7-6-8-10-22/h6-12,19,21,23H,4-5,13-18,20H2,1-3H3