(5-hexylpyridin-3-yl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone

Systemtic Name: (5-hexylpyridin-3-yl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone Openeye Name: (5-hexyl-3-pyridyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone CAS Name: (5-hexyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone IUPAC Name: (5-hexylpyridin-3-yl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone Traditional Name: (5-hexyl-3-pyridyl)-(3-phenyl-2-pyrazolin-1-yl)methanone Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=CC(=C1)C(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=CN=CC(=C1)C(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O/c1-2-3-4-6-9-17-14-19(16-22-15-17)21(25)24-13-12-20(23-24)18-10-7-5-8-11-18/h5,7-8,10-11,14-16H,2-4,6,9,12-13H2,1H3