(4S)-2-pyridin-2-yl-4-(2-pyridin-2-ylethyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-pyridin-2-yl-4-(2-pyridin-2-ylethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2-pyridyl)-4-[2-(2-pyridyl)ethyliminomethyl]-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2-pyridinyl)-4-[2-(2-pyridinyl)ethyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-pyridin-2-yl-4-(2-pyridin-2-ylethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2-pyridyl)-4-[2-(2-pyridyl)ethyliminomethyl]-4H-isoquinoline-1,3-quinone Formula: C22H18N4O2 MolecularWeight: 370.40392

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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=NCCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](C(=O)N(C2=O)C3=CC=CC=N3)C=NCCC4=CC=CC=N4

InChI

InChI=1S/C22H18N4O2/c27-21-18-9-2-1-8-17(18)19(15-23-14-11-16-7-3-5-12-24-16)22(28)26(21)20-10-4-6-13-25-20/h1-10,12-13,15,19H,11,14H2/t19-/m1/s1