N-(3-ethynylphenyl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-(3-ethynylphenyl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-(3-ethynylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-(3-ethynylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-(3-ethynylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: N-(3-ethynylphenyl)-4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2/c1-2-16-7-6-10-18(15-16)22-20(25)11-12-21(26)24-14-13-19(23-24)17-8-4-3-5-9-17/h1,3-10,15H,11-14H2,(H,22,25)