N-(4-butylphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(4-butylphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-butylphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide CAS Name: N-(4-butylphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)-4-triazolecarboxamide IUPAC Name: N-(4-butylphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide Traditional Name: N-(4-butylphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)COC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)COC

InChI

InChI=1S/C21H23ClN4O2/c1-3-4-5-15-6-10-17(11-7-15)23-21(27)20-19(14-28-2)26(25-24-20)18-12-8-16(22)9-13-18/h6-13H,3-5,14H2,1-2H3,(H,23,27)