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

Systemtic Name: 2-butoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-butoxy-4-isopropyl-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-butoxy-7-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-butoxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-butoxy-4-isopropyl-7-[[4-(4-methoxyphenyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one Formula: C26H36N2O3 MolecularWeight: 424.57564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=C(C=C3)OC)C(C)C

Isomeric SMILES

CCCCOC1=CC(=CC=C(C1=O)CN2CCN(CC2)C3=CC=C(C=C3)OC)C(C)C

InChI

InChI=1S/C26H36N2O3/c1-5-6-17-31-25-18-21(20(2)3)7-8-22(26(25)29)19-27-13-15-28(16-14-27)23-9-11-24(30-4)12-10-23/h7-12,18,20H,5-6,13-17,19H2,1-4H3