2-[6-[2-methoxy-4-[(phenethylamino)methyl]phenyl]pyridin-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[6-[2-methoxy-4-[(phenethylamino)methyl]phenyl]pyridin-2-yl]isoindole-1,3-dione Openeye Name: 2-[6-[2-methoxy-4-[(phenethylamino)methyl]phenyl]-2-pyridyl]isoindoline-1,3-dione CAS Name: 2-[6-[2-methoxy-4-[(phenethylamino)methyl]phenyl]-2-pyridinyl]isoindole-1,3-dione IUPAC Name: 2-[6-[2-methoxy-4-[(phenethylamino)methyl]phenyl]pyridin-2-yl]isoindole-1,3-dione Traditional Name: 2-[6-[2-methoxy-4-[(phenethylamino)methyl]phenyl]-2-pyridyl]isoindoline-1,3-quinone Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCC2=CC=CC=C2)C3=NC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCC2=CC=CC=C2)C3=NC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H25N3O3/c1-35-26-18-21(19-30-17-16-20-8-3-2-4-9-20)14-15-24(26)25-12-7-13-27(31-25)32-28(33)22-10-5-6-11-23(22)29(32)34/h2-15,18,30H,16-17,19H2,1H3