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

Systemtic Name: N-(4-butylphenyl)-1-(4-chlorophenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-butylphenyl)-1-(4-chlorophenyl)-5-isopropyl-triazole-4-carboxamide CAS Name: N-(4-butylphenyl)-1-(4-chlorophenyl)-5-propan-2-yl-4-triazolecarboxamide IUPAC Name: N-(4-butylphenyl)-1-(4-chlorophenyl)-5-propan-2-yltriazole-4-carboxamide Traditional Name: N-(4-butylphenyl)-1-(4-chlorophenyl)-5-isopropyl-triazole-4-carboxamide Formula: C22H25ClN4O MolecularWeight: 396.9131

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O/c1-4-5-6-16-7-11-18(12-8-16)24-22(28)20-21(15(2)3)27(26-25-20)19-13-9-17(23)10-14-19/h7-15H,4-6H2,1-3H3,(H,24,28)