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

Systemtic Name: (4S)-2-(2-chlorophenyl)-4-(pyridin-3-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2-chlorophenyl)-4-(3-pyridylmethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2-chlorophenyl)-4-(3-pyridinylmethyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2-chlorophenyl)-4-(pyridin-3-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2-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=C3Cl)C=NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](C(=O)N(C2=O)C3=CC=CC=C3Cl)C=NCC4=CN=CC=C4

InChI

InChI=1S/C22H16ClN3O2/c23-19-9-3-4-10-20(19)26-21(27)17-8-2-1-7-16(17)18(22(26)28)14-25-13-15-6-5-11-24-12-15/h1-12,14,18H,13H2/t18-/m1/s1