4-[2-(2,4-dimethylphenoxy)ethyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[2-(2,4-dimethylphenoxy)ethyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-[2-(2,4-dimethylphenoxy)ethyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[2-(2,4-dimethylphenoxy)ethyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[2-(2,4-dimethylphenoxy)ethyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-[2-(2,4-dimethylphenoxy)ethyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4)C

InChI

InChI=1S/C25H23N3O3/c1-17-10-11-22(18(2)15-17)31-14-13-26-16-21-19-7-3-4-8-20(19)24(29)28(25(21)30)23-9-5-6-12-27-23/h3-12,15-16,21H,13-14H2,1-2H3