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

Systemtic Name: 3-[4-[4-(3-azanylpropyl)piperazin-1-yl]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-[4-(3-aminopropyl)piperazin-1-yl]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[4-[4-(3-aminopropyl)-1-piperazinyl]-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-[4-(3-aminopropyl)piperazin-1-yl]-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-[4-(3-aminopropyl)piperazino]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C18H26N6O3 MolecularWeight: 374.43744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)CCCN)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)CCCN)[N+](=O)[O-]

InChI

InChI=1S/C18H26N6O3/c1-13-11-17(25)20-21-18(13)14-3-4-15(16(12-14)24(26)27)23-9-7-22(8-10-23)6-2-5-19/h3-4,12-13H,2,5-11,19H2,1H3,(H,20,25)