(phenylmethyl) 3-carbonochloridoyl-6-chloranyl-2-(methylamino)-1-oxidanylidene-4-phenyl-isoquinoline-5-carboxylate

Systemtic Name: (phenylmethyl) 3-carbonochloridoyl-6-chloranyl-2-(methylamino)-1-oxidanylidene-4-phenyl-isoquinoline-5-carboxylate Openeye Name: benzyl 6-chloro-3-chlorocarbonyl-2-(methylamino)-1-oxo-4-phenyl-isoquinoline-5-carboxylate CAS Name: 3-carbonochloridoyl-6-chloro-2-(methylamino)-1-oxo-4-phenyl-5-isoquinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-carbonochloridoyl-6-chloro-2-(methylamino)-1-oxo-4-phenylisoquinoline-5-carboxylate Traditional Name: 6-chloro-3-chlorocarbonyl-1-keto-2-(methylamino)-4-phenyl-isoquinoline-5-carboxylic acid benzyl ester Formula: C25H18Cl2N2O4 MolecularWeight: 481.32742

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Descriptors Computed from Structure

Canonical SMILES:

CNN1C(=C(C2=C(C1=O)C=CC(=C2C(=O)OCC3=CC=CC=C3)Cl)C4=CC=CC=C4)C(=O)Cl

Isomeric SMILES

CNN1C(=C(C2=C(C1=O)C=CC(=C2C(=O)OCC3=CC=CC=C3)Cl)C4=CC=CC=C4)C(=O)Cl

InChI

InChI=1S/C25H18Cl2N2O4/c1-28-29-22(23(27)30)19(16-10-6-3-7-11-16)20-17(24(29)31)12-13-18(26)21(20)25(32)33-14-15-8-4-2-5-9-15/h2-13,28H,14H2,1H3