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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O3/c1-13-16(14-4-2-5-15(12-14)24(26)27)18(25)21-20-17(13)23-10-8-22(9-11-23)7-3-6-19/h2,4-5,12-13,16H,3,6-11,19H2,1H3,(H,21,25)