3-(5-chloranylpyridin-2-yl)-2-[(4-chlorophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(5-chloranylpyridin-2-yl)-2-[(4-chlorophenyl)methyl]-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3-(5-chloro-2-pyridyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-(5-chloro-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-(5-chloropyridin-2-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-3-(5-chloro-2-pyridyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H16Cl2N2O3 MolecularWeight: 427.28004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=CC=C(C=C3)Cl)C4=NC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=CC=C(C=C3)Cl)C4=NC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H16Cl2N2O3/c23-14-7-5-13(6-8-14)12-26-20(18-10-9-15(24)11-25-18)19(22(28)29)16-3-1-2-4-17(16)21(26)27/h1-11,19-20H,12H2,(H,28,29)