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

Systemtic Name: 4-methyl-3-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 4-methyl-3-[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-(4-benzylpiperazino)-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-16-13-21(28)23-24-22(16)18-7-8-19(20(14-18)27(29)30)26-11-9-25(10-12-26)15-17-5-3-2-4-6-17/h2-8,14,16H,9-13,15H2,1H3,(H,23,28)