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

Systemtic Name: 2-[[3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-p-anisylpiperazine-1-carbonyl)benzyl]isoindoline-1,3-quinone Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H27N3O4/c1-35-23-11-9-20(10-12-23)18-29-13-15-30(16-14-29)26(32)22-6-4-5-21(17-22)19-31-27(33)24-7-2-3-8-25(24)28(31)34/h2-12,17H,13-16,18-19H2,1H3