2-[[1-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]piperidin-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]piperidin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]-4-piperidyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl)-2-nitrophenyl]-4-piperidinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-5-yl)-2-nitrophenyl]piperidin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-5-yl)-2-nitro-phenyl]-4-piperidyl]methyl]isoindoline-1,3-quinone Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=NNC(=O)C1C2=CC(=C(C=C2)N3CCC(CC3)CN4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

CC1C=NNC(=O)C1C2=CC(=C(C=C2)N3CCC(CC3)CN4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O5/c1-15-13-26-27-23(31)22(15)17-6-7-20(21(12-17)30(34)35)28-10-8-16(9-11-28)14-29-24(32)18-4-2-3-5-19(18)25(29)33/h2-7,12-13,15-16,22H,8-11,14H2,1H3,(H,27,31)