2-(phenylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-5-carboxamide

Systemtic Name: 2-(phenylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-5-carboxamide Openeye Name: 2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-5-carboxamide CAS Name: 2-(phenylmethyl)-N-[[3-(1-pyrazolyl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-benzyl-N-(3-pyrazol-1-ylbenzyl)-1,3-benzoxazole-5-carboxamide Formula: C25H20N4O2 MolecularWeight: 408.4519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)C(=O)NCC4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)C(=O)NCC4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C25H20N4O2/c30-25(26-17-19-8-4-9-21(14-19)29-13-5-12-27-29)20-10-11-23-22(16-20)28-24(31-23)15-18-6-2-1-3-7-18/h1-14,16H,15,17H2,(H,26,30)