1-[4-chloranyl-2-(2-chlorophenyl)carbonyl-phenyl]-5-(diethylaminomethyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-[4-chloranyl-2-(2-chlorophenyl)carbonyl-phenyl]-5-(diethylaminomethyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(diethylaminomethyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 1-[4-chloro-2-[(2-chlorophenyl)-oxomethyl]phenyl]-5-(diethylaminomethyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(diethylaminomethyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-(diethylaminomethyl)-1,2,4-triazole-3-carboxylic acid Formula: C21H20Cl2N4O3 MolecularWeight: 447.3145

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC(=NN1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

CCN(CC)CC1=NC(=NN1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C21H20Cl2N4O3/c1-3-26(4-2)12-18-24-20(21(29)30)25-27(18)17-10-9-13(22)11-15(17)19(28)14-7-5-6-8-16(14)23/h5-11H,3-4,12H2,1-2H3,(H,29,30)