4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(3-ethynylphenyl)benzamide

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(3-ethynylphenyl)benzamide Openeye Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(3-ethynylphenyl)benzamide CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-(3-ethynylphenyl)benzamide IUPAC Name: 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-ethynylphenyl)benzamide Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(3-ethynylphenyl)benzamide Formula: C20H16ClN3O MolecularWeight: 349.81354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C#C)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C#C)C)Cl

InChI

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