4,4-bis[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione

Systemtic Name: 4,4-bis[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione Openeye Name: 4,4-bis[(3-methoxyphenyl)methyl]-2-(2-pyridylmethyl)isoquinoline-1,3-dione CAS Name: 4,4-bis[(3-methoxyphenyl)methyl]-2-(2-pyridinylmethyl)isoquinoline-1,3-dione IUPAC Name: 4,4-bis[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)isoquinoline-1,3-dione Traditional Name: 4,4-bis(m-anisyl)-2-(2-pyridylmethyl)isoquinoline-1,3-quinone Formula: C31H28N2O4 MolecularWeight: 492.56502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=N4)CC5=CC(=CC=C5)OC

Isomeric SMILES

COC1=CC=CC(=C1)CC2(C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=N4)CC5=CC(=CC=C5)OC

InChI

InChI=1S/C31H28N2O4/c1-36-25-12-7-9-22(17-25)19-31(20-23-10-8-13-26(18-23)37-2)28-15-4-3-14-27(28)29(34)33(30(31)35)21-24-11-5-6-16-32-24/h3-18H,19-21H2,1-2H3