(4R)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4R)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4R)-2-(3-chlorophenyl)-4-(3-pyridylmethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4R)-2-(3-chlorophenyl)-4-(3-pyridinylmethyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4R)-2-(3-chlorophenyl)-4-(pyridin-3-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4R)-2-(3-chlorophenyl)-4-(3-pyridylmethyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C22H16ClN3O2 MolecularWeight: 389.83434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C=NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H](C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C=NCC4=CN=CC=C4

InChI

InChI=1S/C22H16ClN3O2/c23-16-6-3-7-17(11-16)26-21(27)19-9-2-1-8-18(19)20(22(26)28)14-25-13-15-5-4-10-24-12-15/h1-12,14,20H,13H2/t20-/m0/s1