1-[3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-phenyl-2-pyrazolin-1-yl]ethanone Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N2O3/c1-12(21)20-16(10-15(19-20)13-5-3-2-4-6-13)14-7-8-17-18(9-14)23-11-22-17/h2-9,16H,10-11H2,1H3