N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(phenylmethyl)-1,3-benzoxazole-5-carboxamide

Systemtic Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(phenylmethyl)-1,3-benzoxazole-5-carboxamide Openeye Name: 2-benzyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzoxazole-5-carboxamide CAS Name: N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-2-(phenylmethyl)-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-benzyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-benzyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-benzoxazole-5-carboxamide Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCNC(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1CCNC(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4O2/c1-15-12-16(2)26(25-15)11-10-23-22(27)18-8-9-20-19(14-18)24-21(28-20)13-17-6-4-3-5-7-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,27)