N-(3-ethynylphenyl)-4-pyrazol-1-yl-benzamide

Systemtic Name: N-(3-ethynylphenyl)-4-pyrazol-1-yl-benzamide Openeye Name: N-(3-ethynylphenyl)-4-pyrazol-1-yl-benzamide CAS Name: N-(3-ethynylphenyl)-4-(1-pyrazolyl)benzamide IUPAC Name: N-(3-ethynylphenyl)-4-pyrazol-1-ylbenzamide Traditional Name: N-(3-ethynylphenyl)-4-pyrazol-1-yl-benzamide Formula: C18H13N3O MolecularWeight: 287.31532

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C18H13N3O/c1-2-14-5-3-6-16(13-14)20-18(22)15-7-9-17(10-8-15)21-12-4-11-19-21/h1,3-13H,(H,20,22)