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

Systemtic Name: (4Z)-4-[1-(3-morpholin-4-ylpropylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(3-morpholinopropylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-pyrazol-3-one CAS Name: (4Z)-4-[1-[3-(4-morpholinyl)propylamino]ethylidene]-2-(4-nitrophenyl)-5-propyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(3-morpholin-4-ylpropylamino)ethylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one Traditional Name: (4Z)-4-[1-(3-morpholinopropylamino)ethylidene]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCCCN2CCOCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCCCN2CCOCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O4/c1-3-5-19-20(16(2)22-10-4-11-24-12-14-30-15-13-24)21(27)25(23-19)17-6-8-18(9-7-17)26(28)29/h6-9,22H,3-5,10-15H2,1-2H3/b20-16-