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

Systemtic Name: 7-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-phenylmethoxy-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[(4-benzhydrylpiperazin-1-yl)methyl]-2-benzyloxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2-phenylmethoxy-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-benzhydrylpiperazin-1-yl)methyl]-2-phenylmethoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-[(4-benzhydrylpiperazino)methyl]-2-benzoxy-4-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C35H38N2O2 MolecularWeight: 518.68842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)OCC2=CC=CC=C2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)OCC2=CC=CC=C2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H38N2O2/c1-27(2)31-18-19-32(35(38)33(24-31)39-26-28-12-6-3-7-13-28)25-36-20-22-37(23-21-36)34(29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-19,24,27,34H,20-23,25-26H2,1-2H3