2-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide

Systemtic Name: 2-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide Openeye Name: 2-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide CAS Name: 2-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-butyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-butyl-N-[4-(1,2,4-triazol-1-yl)benzyl]-1,3-benzoxazole-5-carboxamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)NCC3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)NCC3=CC=C(C=C3)N4C=NC=N4

InChI

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