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

Systemtic Name: 7-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-(4-oxidanylpiperidin-1-yl)-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 7-[(4-benzhydrylpiperazin-1-yl)methyl]-2-(4-hydroxy-1-piperidyl)-4-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2-(4-hydroxy-1-piperidinyl)-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-benzhydrylpiperazin-1-yl)methyl]-2-(4-hydroxypiperidin-1-yl)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 7-[(4-benzhydrylpiperazino)methyl]-2-(4-hydroxypiperidino)-4-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C33H41N3O2 MolecularWeight: 511.69754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)N2CCC(CC2)O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)N2CCC(CC2)O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H41N3O2/c1-25(2)28-13-14-29(33(38)31(23-28)35-17-15-30(37)16-18-35)24-34-19-21-36(22-20-34)32(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-14,23,25,30,32,37H,15-22,24H2,1-2H3