N-(4-butylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(4-butylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(4-butylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide CAS Name: N-(4-butylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-4-triazolecarboxamide IUPAC Name: N-(4-butylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide Traditional Name: N-(4-butylphenyl)-5-methyl-1-(3-phenylanthranil-5-yl)triazole-4-carboxamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5)C

InChI

InChI=1S/C27H25N5O2/c1-3-4-8-19-11-13-21(14-12-19)28-27(33)25-18(2)32(31-29-25)22-15-16-24-23(17-22)26(34-30-24)20-9-6-5-7-10-20/h5-7,9-17H,3-4,8H2,1-2H3,(H,28,33)