methyl 2-(2-diethylaminoethyl)-5-[(4-fluorophenyl)amino]-1,2,3-triazole-4-carboxylate hydrochloride

Systemtic Name: methyl 2-(2-diethylaminoethyl)-5-[(4-fluorophenyl)amino]-1,2,3-triazole-4-carboxylate hydrochloride Openeye Name: methyl 2-(2-diethylaminoethyl)-5-(4-fluoroanilino)triazole-4-carboxylate hydrochloride CAS Name: 2-(2-diethylaminoethyl)-5-(4-fluoroanilino)-4-triazolecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-(2-diethylaminoethyl)-5-(4-fluoroanilino)triazole-4-carboxylate hydrochloride Traditional Name: 2-(2-diethylaminoethyl)-5-(4-fluoroanilino)triazole-4-carboxylic acid methyl ester hydrochloride Formula: C16H23ClFN5O2 MolecularWeight: 371.837523

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1N=C(C(=N1)NC2=CC=C(C=C2)F)C(=O)OC.Cl

Isomeric SMILES

CCN(CC)CCN1N=C(C(=N1)NC2=CC=C(C=C2)F)C(=O)OC.Cl

InChI

InChI=1S/C16H22FN5O2.ClH/c1-4-21(5-2)10-11-22-19-14(16(23)24-3)15(20-22)18-13-8-6-12(17)7-9-13;/h6-9H,4-5,10-11H2,1-3H3,(H,18,20);1H