2-[[3-[4-(diphenylmethyl)piperazin-1-yl]-5-methyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-[4-(diphenylmethyl)piperazin-1-yl]-5-methyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-(4-benzhydrylpiperazin-1-yl)-5-methyl-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[4-(diphenylmethyl)-1-piperazinyl]-5-methylphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(4-benzhydrylpiperazin-1-yl)-5-methylphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-benzhydrylpiperazino)-5-methyl-benzyl]isoindoline-1,3-quinone Formula: C33H31N3O2 MolecularWeight: 501.61814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C33H31N3O2/c1-24-20-25(23-36-32(37)29-14-8-9-15-30(29)33(36)38)22-28(21-24)34-16-18-35(19-17-34)31(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-15,20-22,31H,16-19,23H2,1H3