5-methyl-2-(4-nitrophenyl)-4-[[(1-propanoylpiperidin-4-yl)methylamino]methylidene]pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-[[(1-propanoylpiperidin-4-yl)methylamino]methylidene]pyrazol-3-one Openeye Name: 5-methyl-2-(4-nitrophenyl)-4-[[(1-propanoyl-4-piperidyl)methylamino]methylene]pyrazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-4-[[[1-(1-oxopropyl)-4-piperidinyl]methylamino]methylidene]-3-pyrazolone IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-[[(1-propanoylpiperidin-4-yl)methylamino]methylidene]pyrazol-3-one Traditional Name: 5-methyl-2-(4-nitrophenyl)-4-[[(1-propionyl-4-piperidyl)methylamino]methylene]-2-pyrazolin-3-one Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(CC1)CNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC(=O)N1CCC(CC1)CNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N5O4/c1-3-19(26)23-10-8-15(9-11-23)12-21-13-18-14(2)22-24(20(18)27)16-4-6-17(7-5-16)25(28)29/h4-7,13,15,21H,3,8-12H2,1-2H3