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

Systemtic Name: 2-[[4-(4-methyl-2-phenyl-piperazin-1-yl)carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(4-methyl-2-phenyl-piperazine-1-carbonyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(4-methyl-2-phenyl-1-piperazinyl)-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-methyl-2-phenyl-piperazine-1-carbonyl)benzyl]isoindoline-1,3-quinone Formula: C27H25N3O3 MolecularWeight: 439.5057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H25N3O3/c1-28-15-16-29(24(18-28)20-7-3-2-4-8-20)25(31)21-13-11-19(12-14-21)17-30-26(32)22-9-5-6-10-23(22)27(30)33/h2-14,24H,15-18H2,1H3