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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H25N3O3/c31-25(29-15-13-28(14-16-29)18-20-7-2-1-3-8-20)22-10-6-9-21(17-22)19-30-26(32)23-11-4-5-12-24(23)27(30)33/h1-12,17H,13-16,18-19H2