5-but-3-ynyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbaldehyde

Systemtic Name: 5-but-3-ynyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbaldehyde Openeye Name: 5-but-3-ynyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde CAS Name: 5-but-3-ynyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxaldehyde IUPAC Name: 5-but-3-ynyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde Traditional Name: 3-but-3-ynyl-5-keto-1-phenyl-3-pyrazoline-4-carbaldehyde Formula: C14H12N2O2 MolecularWeight: 240.25728

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C=O

Isomeric SMILES

C#CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C=O

InChI

InChI=1S/C14H12N2O2/c1-2-3-9-13-12(10-17)14(18)16(15-13)11-7-5-4-6-8-11/h1,4-8,10,15H,3,9H2