[1-[[2,3-bis(chloranyl)phenyl]amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [1-[[2,3-bis(chloranyl)phenyl]amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[(2,3-dichlorophenyl)carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-(2,3-dichloroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,3-dichloroanilino)-1-oxobutan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[(2,3-dichlorophenyl)carbamoyl]propyl ester Formula: C27H22Cl2N2O4 MolecularWeight: 509.38058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C27H22Cl2N2O4/c1-3-21(25(32)30-20-15-9-14-19(28)23(20)29)35-27(34)24-22(16-10-5-4-6-11-16)17-12-7-8-13-18(17)26(33)31(24)2/h4-15,21H,3H2,1-2H3,(H,30,32)