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

Systemtic Name: 5-azanyl-1-[[3-methyl-4-(phenylcarbonyl)phenyl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(4-benzoyl-3-methyl-phenyl)methyl]triazole-4-carboxamide CAS Name: 5-amino-1-[(4-benzoyl-3-methylphenyl)methyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(4-benzoyl-3-methylphenyl)methyl]triazole-4-carboxamide Traditional Name: 5-amino-1-(4-benzoyl-3-methyl-benzyl)triazole-4-carboxamide Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2C(=C(N=N2)C(=O)N)N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)CN2C(=C(N=N2)C(=O)N)N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2/c1-11-9-12(10-23-17(19)15(18(20)25)21-22-23)7-8-14(11)16(24)13-5-3-2-4-6-13/h2-9H,10,19H2,1H3,(H2,20,25)