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

Systemtic Name: N-butyl-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxamide Openeye Name: N-butyl-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide CAS Name: N-butyl-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-4-triazolecarboxamide IUPAC Name: N-butyl-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide Traditional Name: N-butyl-5-methyl-1-(3-phenylanthranil-5-yl)triazole-4-carboxamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(N=N1)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(N=N1)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C

InChI

InChI=1S/C21H21N5O2/c1-3-4-12-22-21(27)19-14(2)26(25-23-19)16-10-11-18-17(13-16)20(28-24-18)15-8-6-5-7-9-15/h5-11,13H,3-4,12H2,1-2H3,(H,22,27)