butyl 5-[(4-chlorophenyl)amino]-2-(2-dimethylaminoethyl)-1,2,3-triazole-4-carboxylate hydrochloride

Systemtic Name: butyl 5-[(4-chlorophenyl)amino]-2-(2-dimethylaminoethyl)-1,2,3-triazole-4-carboxylate hydrochloride Openeye Name: butyl 5-(4-chloroanilino)-2-(2-dimethylaminoethyl)triazole-4-carboxylate hydrochloride CAS Name: 5-(4-chloroanilino)-2-(2-dimethylaminoethyl)-4-triazolecarboxylic acid butyl ester hydrochloride IUPAC Name: butyl 5-(4-chloroanilino)-2-(2-dimethylaminoethyl)triazole-4-carboxylate hydrochloride Traditional Name: 5-(4-chloroanilino)-2-(2-dimethylaminoethyl)triazole-4-carboxylic acid butyl ester hydrochloride Formula: C17H25Cl2N5O2 MolecularWeight: 402.3187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NN(N=C1NC2=CC=C(C=C2)Cl)CCN(C)C.Cl

Isomeric SMILES

CCCCOC(=O)C1=NN(N=C1NC2=CC=C(C=C2)Cl)CCN(C)C.Cl

InChI

InChI=1S/C17H24ClN5O2.ClH/c1-4-5-12-25-17(24)15-16(19-14-8-6-13(18)7-9-14)21-23(20-15)11-10-22(2)3;/h6-9H,4-5,10-12H2,1-3H3,(H,19,21);1H