1-[(2-chlorophenyl)methyl]-N-(3-ethynylphenyl)-3,5-dimethyl-pyrazole-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-(3-ethynylphenyl)-3,5-dimethyl-pyrazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-(3-ethynylphenyl)-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-(3-ethynylphenyl)-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-(3-ethynylphenyl)-3,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-(3-ethynylphenyl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C21H18ClN3O MolecularWeight: 363.84012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H18ClN3O/c1-4-16-8-7-10-18(12-16)23-21(26)20-14(2)24-25(15(20)3)13-17-9-5-6-11-19(17)22/h1,5-12H,13H2,2-3H3,(H,23,26)