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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCC2=CN=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-3-5-18-19(14(2)22-13-15-6-4-11-21-12-15)20(26)24(23-18)16-7-9-17(10-8-16)25(27)28/h4,6-12,22H,3,5,13H2,1-2H3/b19-14-