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

Systemtic Name: 2-phenethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide Openeye Name: 2-phenethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide CAS Name: 2-phenethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-phenethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-phenethyl-N-[4-(1,2,4-triazol-1-yl)benzyl]-1,3-benzoxazole-5-carboxamide Formula: C25H21N5O2 MolecularWeight: 423.46654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC3=C(O2)C=CC(=C3)C(=O)NCC4=CC=C(C=C4)N5C=NC=N5

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC3=C(O2)C=CC(=C3)C(=O)NCC4=CC=C(C=C4)N5C=NC=N5

InChI

InChI=1S/C25H21N5O2/c31-25(27-15-19-6-10-21(11-7-19)30-17-26-16-28-30)20-9-12-23-22(14-20)29-24(32-23)13-8-18-4-2-1-3-5-18/h1-7,9-12,14,16-17H,8,13,15H2,(H,27,31)