1-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]pentan-1-one

Systemtic Name: 1-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]pentan-1-one Openeye Name: 1-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]pentan-1-one CAS Name: 1-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-pentanone IUPAC Name: 1-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]pentan-1-one Traditional Name: 1-[5-(2-nitrophenyl)-3-phenyl-2-pyrazolin-1-yl]pentan-1-one Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3/c1-2-3-13-20(24)22-19(16-11-7-8-12-18(16)23(25)26)14-17(21-22)15-9-5-4-6-10-15/h4-12,19H,2-3,13-14H2,1H3