3-(4-fluorophenyl)-5-[[5-nitro-1-(phenylmethyl)indol-3-yl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-(4-fluorophenyl)-5-[[5-nitro-1-(phenylmethyl)indol-3-yl]methyl]-1H-pyridazin-6-one Openeye Name: 5-[(1-benzyl-5-nitro-indol-3-yl)methyl]-3-(4-fluorophenyl)-1H-pyridazin-6-one CAS Name: 3-(4-fluorophenyl)-5-[[5-nitro-1-(phenylmethyl)-3-indolyl]methyl]-1H-pyridazin-6-one IUPAC Name: 5-[(1-benzyl-5-nitroindol-3-yl)methyl]-3-(4-fluorophenyl)-1H-pyridazin-6-one Traditional Name: 5-[(1-benzyl-5-nitro-indol-3-yl)methyl]-3-(4-fluorophenyl)-1H-pyridazin-6-one Formula: C26H19FN4O3 MolecularWeight: 454.452463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC(=NNC4=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC(=NNC4=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H19FN4O3/c27-21-8-6-18(7-9-21)24-13-19(26(32)29-28-24)12-20-16-30(15-17-4-2-1-3-5-17)25-11-10-22(31(33)34)14-23(20)25/h1-11,13-14,16H,12,15H2,(H,29,32)