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

Systemtic Name: (4S)-4-[2-(2-fluoranylphenoxy)ethyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-[2-(2-fluorophenoxy)ethyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[2-(2-fluorophenoxy)ethyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-[2-(2-fluorophenoxy)ethyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-[2-(2-fluorophenoxy)ethyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C23H18FN3O3 MolecularWeight: 403.405723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N(C2=O)C3=CC=CC=N3)C=NCCOC4=CC=CC=C4F

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](C(=O)N(C2=O)C3=CC=CC=N3)C=NCCOC4=CC=CC=C4F

InChI

InChI=1S/C23H18FN3O3/c24-19-9-3-4-10-20(19)30-14-13-25-15-18-16-7-1-2-8-17(16)22(28)27(23(18)29)21-11-5-6-12-26-21/h1-12,15,18H,13-14H2/t18-/m1/s1