3-[[4-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]amino]-2-(2-methylpropyl)-3H-isoindol-1-one

Systemtic Name: 3-[[4-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]amino]-2-(2-methylpropyl)-3H-isoindol-1-one Openeye Name: 3-[4-(4-benzhydrylpiperazine-1-carbonyl)anilino]-2-isobutyl-isoindolin-1-one CAS Name: 3-[4-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-2-(2-methylpropyl)-3H-isoindol-1-one IUPAC Name: 3-[4-(4-benzhydrylpiperazine-1-carbonyl)anilino]-2-(2-methylpropyl)-3H-isoindol-1-one Traditional Name: 3-[4-(4-benzhydrylpiperazine-1-carbonyl)anilino]-2-isobutyl-isoindolin-1-one Formula: C36H38N4O2 MolecularWeight: 558.71252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)CN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H38N4O2/c1-26(2)25-40-34(31-15-9-10-16-32(31)36(40)42)37-30-19-17-29(18-20-30)35(41)39-23-21-38(22-24-39)33(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-20,26,33-34,37H,21-25H2,1-2H3