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

Systemtic Name: 2-[(2-methoxypyridin-4-yl)methyl]-4-[4-(phenylmethyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 4-(4-benzylpiperazin-1-yl)-2-[(2-methoxy-4-pyridyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(2-methoxy-4-pyridinyl)methyl]-4-[4-(phenylmethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 4-(4-benzylpiperazin-1-yl)-2-[(2-methoxypyridin-4-yl)methyl]isoindole-1,3-dione Traditional Name: 4-(4-benzylpiperazino)-2-[(2-methoxy-4-pyridyl)methyl]isoindoline-1,3-quinone Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=NC=CC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3/c1-33-23-16-20(10-11-27-23)18-30-25(31)21-8-5-9-22(24(21)26(30)32)29-14-12-28(13-15-29)17-19-6-3-2-4-7-19/h2-11,16H,12-15,17-18H2,1H3