5-azanyl-1-[[4-(4-chlorophenyl)carbonyl-3,5-dimethyl-phenyl]methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[[4-(4-chlorophenyl)carbonyl-3,5-dimethyl-phenyl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[[4-(4-chlorobenzoyl)-3,5-dimethyl-phenyl]methyl]triazole-4-carboxamide CAS Name: 5-amino-1-[[4-[(4-chlorophenyl)-oxomethyl]-3,5-dimethylphenyl]methyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-[[4-(4-chlorobenzoyl)-3,5-dimethylphenyl]methyl]triazole-4-carboxamide Traditional Name: 5-amino-1-[4-(4-chlorobenzoyl)-3,5-dimethyl-benzyl]triazole-4-carboxamide Formula: C19H18ClN5O2 MolecularWeight: 383.83152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)C)CN3C(=C(N=N3)C(=O)N)N

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)C)CN3C(=C(N=N3)C(=O)N)N

InChI

InChI=1S/C19H18ClN5O2/c1-10-7-12(9-25-18(21)16(19(22)27)23-24-25)8-11(2)15(10)17(26)13-3-5-14(20)6-4-13/h3-8H,9,21H2,1-2H3,(H2,22,27)