4-(hydroxymethyl)-3-[2-[[3-(1H-imidazol-5-yl)propylhydrazinylidene]methylidene]piperazin-1-yl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 4-(hydroxymethyl)-3-[2-[[3-(1H-imidazol-5-yl)propylhydrazinylidene]methylidene]piperazin-1-yl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 4-(hydroxymethyl)-3-[2-[[3-(1H-imidazol-5-yl)propylhydrazono]methylene]piperazin-1-yl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one CAS Name: 4-(hydroxymethyl)-3-[2-[[3-(1H-imidazol-5-yl)propylhydrazinylidene]methylidene]-1-piperazinyl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 4-(hydroxymethyl)-3-[2-[[3-(1H-imidazol-5-yl)propylhydrazinylidene]methylidene]piperazin-1-yl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[2-[[3-(1H-imidazol-5-yl)propylhydrazono]methylene]piperazino]-4-methylol-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one Formula: C22H27N9O4 MolecularWeight: 481.50768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=C=NNCCCC2=CN=CN2)CN1)C3=NNC(=O)C(C3CO)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=C=NNCCCC2=CN=CN2)CN1)C3=NNC(=O)C(C3CO)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N9O4/c32-13-19-20(15-3-1-5-17(9-15)31(34)35)22(33)29-28-21(19)30-8-7-23-11-18(30)12-27-26-6-2-4-16-10-24-14-25-16/h1,3,5,9-10,14,19-20,23,26,32H,2,4,6-8,11,13H2,(H,24,25)(H,29,33)