N-[(5R)-3,5-dimethyl-2-[(2-methylphenyl)methyl]-1,5-dihydropyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(5R)-3,5-dimethyl-2-[(2-methylphenyl)methyl]-1,5-dihydropyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[(5R)-3,5-dimethyl-2-(o-tolylmethyl)-1,5-dihydropyrazol-4-yl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[(5R)-3,5-dimethyl-2-[(2-methylphenyl)methyl]-1,5-dihydropyrazol-4-yl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[(5R)-3,5-dimethyl-2-[(2-methylphenyl)methyl]-1,5-dihydropyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[(3R)-3,5-dimethyl-1-(2-methylbenzyl)-3-pyrazolin-4-yl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(N(N1)CC2=CC=CC=C2C)C)NC(=O)C3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C[C@@H]1C(=C(N(N1)CC2=CC=CC=C2C)C)NC(=O)C3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C21H22N4O2S/c1-13-7-4-5-8-16(13)12-25-15(3)20(14(2)23-25)22-21(26)17-11-18(27-24-17)19-9-6-10-28-19/h4-11,14,23H,12H2,1-3H3,(H,22,26)/t14-/m1/s1