1-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-3-yl]-N,N-diethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-3-yl]-N,N-diethyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(5-chloro-2-hydroxy-phenyl)methyl]-3-piperidyl]-N,N-diethyl-triazole-4-carboxamide CAS Name: 1-[1-[(5-chloro-2-hydroxyphenyl)methyl]-3-piperidinyl]-N,N-diethyl-4-triazolecarboxamide IUPAC Name: 1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide Traditional Name: 1-[1-(5-chloro-2-hydroxy-benzyl)-3-piperidyl]-N,N-diethyl-triazole-4-carboxamide Formula: C19H26ClN5O2 MolecularWeight: 391.89504

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CCCN(C2)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)C2CCCN(C2)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C19H26ClN5O2/c1-3-24(4-2)19(27)17-13-25(22-21-17)16-6-5-9-23(12-16)11-14-10-15(20)7-8-18(14)26/h7-8,10,13,16,26H,3-6,9,11-12H2,1-2H3