2-methyl-5-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]-1H-pyrazol-3-one

Systemtic Name: 2-methyl-5-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]-1H-pyrazol-3-one Openeye Name: 2-methyl-5-[4-[4-nitro-3-(4-propyl-1-piperidyl)phenoxy]phenyl]-1H-pyrazol-3-one CAS Name: 2-methyl-5-[4-[4-nitro-3-(4-propyl-1-piperidinyl)phenoxy]phenyl]-1H-pyrazol-3-one IUPAC Name: 2-methyl-5-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]-1H-pyrazol-3-one Traditional Name: 2-methyl-5-[4-[4-nitro-3-(4-propylpiperidino)phenoxy]phenyl]-3-pyrazolin-3-one Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCN(CC1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)C4=CC(=O)N(N4)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1CCN(CC1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)C4=CC(=O)N(N4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O4/c1-3-4-17-11-13-27(14-12-17)23-15-20(9-10-22(23)28(30)31)32-19-7-5-18(6-8-19)21-16-24(29)26(2)25-21/h5-10,15-17,25H,3-4,11-14H2,1-2H3