5-methyl-2-(4-nitrophenyl)-4-[2-(4-propanoylpiperazin-1-yl)ethyliminomethyl]-4H-pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-[2-(4-propanoylpiperazin-1-yl)ethyliminomethyl]-4H-pyrazol-3-one Openeye Name: 5-methyl-2-(4-nitrophenyl)-4-[2-(4-propanoylpiperazin-1-yl)ethyliminomethyl]-4H-pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-[2-[4-(1-oxopropyl)-1-piperazinyl]ethyliminomethyl]-4H-pyrazol-3-one IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-[2-(4-propanoylpiperazin-1-yl)ethyliminomethyl]-4H-pyrazol-3-one Traditional Name: 5-methyl-2-(4-nitrophenyl)-4-[2-(4-propionylpiperazino)ethyliminomethyl]-2-pyrazolin-3-one Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)CCN=CC2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC(=O)N1CCN(CC1)CCN=CC2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N6O4/c1-3-19(27)24-12-10-23(11-13-24)9-8-21-14-18-15(2)22-25(20(18)28)16-4-6-17(7-5-16)26(29)30/h4-7,14,18H,3,8-13H2,1-2H3