2-(4-nitrophenyl)-5-propyl-4-[1-(pyridin-4-ylmethylamino)ethylidene]pyrazol-3-one

Systemtic Name: 2-(4-nitrophenyl)-5-propyl-4-[1-(pyridin-4-ylmethylamino)ethylidene]pyrazol-3-one Openeye Name: 2-(4-nitrophenyl)-5-propyl-4-[1-(4-pyridylmethylamino)ethylidene]pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-5-propyl-4-[1-(pyridin-4-ylmethylamino)ethylidene]-3-pyrazolone IUPAC Name: 2-(4-nitrophenyl)-5-propyl-4-[1-(pyridin-4-ylmethylamino)ethylidene]pyrazol-3-one Traditional Name: 2-(4-nitrophenyl)-5-propyl-4-[1-(4-pyridylmethylamino)ethylidene]-2-pyrazolin-3-one Formula: C20H21N5O3 MolecularWeight: 379.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCC2=CC=NC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)C1=C(C)NCC2=CC=NC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-3-4-18-19(14(2)22-13-15-9-11-21-12-10-15)20(26)24(23-18)16-5-7-17(8-6-16)25(27)28/h5-12,22H,3-4,13H2,1-2H3