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

Systemtic Name: (4Z)-2-(4-nitrophenyl)-4-[1-(phenethylamino)ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(4-nitrophenyl)-4-[1-(phenethylamino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(4-nitrophenyl)-4-[1-(phenethylamino)ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(4-nitrophenyl)-4-[1-(phenethylamino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(4-nitrophenyl)-4-[1-(phenethylamino)ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c1-3-7-20-21(16(2)23-15-14-17-8-5-4-6-9-17)22(27)25(24-20)18-10-12-19(13-11-18)26(28)29/h4-6,8-13,23H,3,7,14-15H2,1-2H3/b21-16-