5-chloranyl-N-(3-ethynylphenyl)-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3-ethynylphenyl)-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-N-(3-ethynylphenyl)-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-(3-ethynylphenyl)-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-N-(3-ethynylphenyl)-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-(3-ethynylphenyl)-3-methyl-pyrazole-4-carboxamide Formula: C20H16ClN3O MolecularWeight: 349.81354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC=CC(=C2)C#C)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC=CC(=C2)C#C)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H16ClN3O/c1-3-15-10-7-11-17(12-15)22-20(25)18-14(2)23-24(19(18)21)13-16-8-5-4-6-9-16/h1,4-12H,13H2,2H3,(H,22,25)