2-(4-nitrophenyl)-5-phenyl-4-[2-(propylamino)ethanoyl]-1H-pyrazol-3-one

Systemtic Name: 2-(4-nitrophenyl)-5-phenyl-4-[2-(propylamino)ethanoyl]-1H-pyrazol-3-one Openeye Name: 2-(4-nitrophenyl)-5-phenyl-4-[2-(propylamino)acetyl]-1H-pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-4-[1-oxo-2-(propylamino)ethyl]-5-phenyl-1H-pyrazol-3-one IUPAC Name: 2-(4-nitrophenyl)-5-phenyl-4-[2-(propylamino)acetyl]-1H-pyrazol-3-one Traditional Name: 2-(4-nitrophenyl)-5-phenyl-4-[2-(propylamino)acetyl]-3-pyrazolin-3-one Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCNCC(=O)C1=C(NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4/c1-2-12-21-13-17(25)18-19(14-6-4-3-5-7-14)22-23(20(18)26)15-8-10-16(11-9-15)24(27)28/h3-11,21-22H,2,12-13H2,1H3