1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-propan-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-propan-2-yl-pyrazole-4-carboxamide Openeye Name: 1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-isopropyl-pyrazole-4-carboxamide CAS Name: 1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-propan-2-ylpyrazole-4-carboxamide Traditional Name: 1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-isopropyl-pyrazole-4-carboxamide Formula: C21H18ClN3O MolecularWeight: 363.84012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H18ClN3O/c1-4-15-7-5-9-17(11-15)24-21(26)19-13-23-25(20(19)14(2)3)18-10-6-8-16(22)12-18/h1,5-14H,2-3H3,(H,24,26)