3-[4-(4-azanylbutyl)piperazin-1-yl]-4-methyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[4-(4-azanylbutyl)piperazin-1-yl]-4-methyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-(4-aminobutyl)piperazin-1-yl]-4-methyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[4-(4-aminobutyl)-1-piperazinyl]-4-methyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-(4-aminobutyl)piperazin-1-yl]-4-methyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-(4-aminobutyl)piperazino]-4-methyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one Formula: C19H28N6O3 MolecularWeight: 388.46402

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NN=C1N2CCN(CC2)CCCCN)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1C(C(=O)NN=C1N2CCN(CC2)CCCCN)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H28N6O3/c1-14-17(15-5-4-6-16(13-15)25(27)28)19(26)22-21-18(14)24-11-9-23(10-12-24)8-3-2-7-20/h4-6,13-14,17H,2-3,7-12,20H2,1H3,(H,22,26)