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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCC(CC3)CN4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCC(CC3)CN4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

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