butyl 5-[(4-methylphenyl)amino]-2-(3-piperidin-1-ylpropyl)-1,2,3-triazole-4-carboxylate hydrochloride

Systemtic Name: butyl 5-[(4-methylphenyl)amino]-2-(3-piperidin-1-ylpropyl)-1,2,3-triazole-4-carboxylate hydrochloride Openeye Name: butyl 5-(4-methylanilino)-2-[3-(1-piperidyl)propyl]triazole-4-carboxylate hydrochloride CAS Name: 5-(4-methylanilino)-2-[3-(1-piperidinyl)propyl]-4-triazolecarboxylic acid butyl ester hydrochloride IUPAC Name: butyl 5-(4-methylanilino)-2-(3-piperidin-1-ylpropyl)triazole-4-carboxylate hydrochloride Traditional Name: 2-(3-piperidinopropyl)-5-(p-toluidino)triazole-4-carboxylic acid butyl ester hydrochloride Formula: C22H34ClN5O2 MolecularWeight: 435.99066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NN(N=C1NC2=CC=C(C=C2)C)CCCN3CCCCC3.Cl

Isomeric SMILES

CCCCOC(=O)C1=NN(N=C1NC2=CC=C(C=C2)C)CCCN3CCCCC3.Cl

InChI

InChI=1S/C22H33N5O2.ClH/c1-3-4-17-29-22(28)20-21(23-19-11-9-18(2)10-12-19)25-27(24-20)16-8-15-26-13-6-5-7-14-26;/h9-12H,3-8,13-17H2,1-2H3,(H,23,25);1H