3-[4-[3-(1H-imidazol-5-yl)propylamino]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[4-[3-(1H-imidazol-5-yl)propylamino]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-[3-(1H-imidazol-5-yl)propylamino]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[4-[3-(1H-imidazol-5-yl)propylamino]-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-[3-(1H-imidazol-5-yl)propylamino]-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-[3-(1H-imidazol-5-yl)propylamino]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)NCCCC3=CN=CN3)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)NCCCC3=CN=CN3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O3/c1-11-7-16(24)21-22-17(11)12-4-5-14(15(8-12)23(25)26)19-6-2-3-13-9-18-10-20-13/h4-5,8-11,19H,2-3,6-7H2,1H3,(H,18,20)(H,21,24)