methyl 5-[(4-chlorophenyl)amino]-2-(3-morpholin-4-ylpropyl)-1,2,3-triazole-4-carboxylate hydrochloride

Systemtic Name: methyl 5-[(4-chlorophenyl)amino]-2-(3-morpholin-4-ylpropyl)-1,2,3-triazole-4-carboxylate hydrochloride Openeye Name: methyl 5-(4-chloroanilino)-2-(3-morpholinopropyl)triazole-4-carboxylate hydrochloride CAS Name: 5-(4-chloroanilino)-2-[3-(4-morpholinyl)propyl]-4-triazolecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 5-(4-chloroanilino)-2-(3-morpholin-4-ylpropyl)triazole-4-carboxylate hydrochloride Traditional Name: 5-(4-chloroanilino)-2-(3-morpholinopropyl)triazole-4-carboxylic acid methyl ester hydrochloride Formula: C17H23Cl2N5O3 MolecularWeight: 416.30222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(N=C1NC2=CC=C(C=C2)Cl)CCCN3CCOCC3.Cl

Isomeric SMILES

COC(=O)C1=NN(N=C1NC2=CC=C(C=C2)Cl)CCCN3CCOCC3.Cl

InChI

InChI=1S/C17H22ClN5O3.ClH/c1-25-17(24)15-16(19-14-5-3-13(18)4-6-14)21-23(20-15)8-2-7-22-9-11-26-12-10-22;/h3-6H,2,7-12H2,1H3,(H,19,21);1H