2-[5-[[(4-chlorophenyl)amino]methyl]-1H-1,2,4-triazol-3-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[5-[[(4-chlorophenyl)amino]methyl]-1H-1,2,4-triazol-3-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[5-[(4-chloroanilino)methyl]-1H-1,2,4-triazol-3-yl]-N-isopropyl-acetamide CAS Name: 2-[5-[(4-chloroanilino)methyl]-1H-1,2,4-triazol-3-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[5-[(4-chloroanilino)methyl]-1H-1,2,4-triazol-3-yl]-N-propan-2-ylacetamide Traditional Name: 2-[5-[(4-chloroanilino)methyl]-1H-1,2,4-triazol-3-yl]-N-isopropyl-acetamide Formula: C14H18ClN5O MolecularWeight: 307.77862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CC1=NNC(=N1)CNC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)NC(=O)CC1=NNC(=N1)CNC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClN5O/c1-9(2)17-14(21)7-12-18-13(20-19-12)8-16-11-5-3-10(15)4-6-11/h3-6,9,16H,7-8H2,1-2H3,(H,17,21)(H,18,19,20)