1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(prop-2-ynylamino)ethanone

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(prop-2-ynylamino)ethanone Openeye Name: 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(prop-2-ynylamino)ethanone CAS Name: 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(prop-2-ynylamino)ethanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(prop-2-ynylamino)ethanone Traditional Name: 1-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-2-(propargylamino)ethanone Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CNCC#C)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CNCC#C)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2/c1-3-13-22-15-21(25)24-20(17-9-11-18(26-2)12-10-17)14-19(23-24)16-7-5-4-6-8-16/h1,4-12,20,22H,13-15H2,2H3