2-[(3-chlorophenyl)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(3-chlorophenyl)methyl]-N-(1-methyl-3-pyrazol-1-yl-propyl)-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(3-chlorophenyl)methyl]-N-[4-(1-pyrazolyl)butan-2-yl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(3-chlorophenyl)methyl]-N-(4-pyrazol-1-ylbutan-2-yl)-1,3-benzoxazole-6-carboxamide Traditional Name: 2-(3-chlorobenzyl)-N-(1-methyl-3-pyrazol-1-yl-propyl)-1,3-benzoxazole-6-carboxamide Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)NC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(CCN1C=CC=N1)NC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H21ClN4O2/c1-15(8-11-27-10-3-9-24-27)25-22(28)17-6-7-19-20(14-17)29-21(26-19)13-16-4-2-5-18(23)12-16/h2-7,9-10,12,14-15H,8,11,13H2,1H3,(H,25,28)