8-[[4-fluoranyl-3-[[4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]carbonyl]phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

Systemtic Name: 8-[[4-fluoranyl-3-[[4-(1,3-thiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]carbonyl]phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one Openeye Name: 8-[[4-fluoro-3-[4-(thiazole-4-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one CAS Name: 8-[[4-fluoro-3-[oxo-[4-[oxo(4-thiazolyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one IUPAC Name: 8-[[4-fluoro-3-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one Traditional Name: 8-[4-fluoro-3-[4-(thiazole-4-carbonyl)-1,4-diazepane-1-carbonyl]benzyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one Formula: C24H25FN6O3S MolecularWeight: 496.557103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=NNC2=O)CC3=CC(=C(C=C3)F)C(=O)N4CCCN(CC4)C(=O)C5=CSC=N5)NC1

Isomeric SMILES

C1CC2=C(C(=NNC2=O)CC3=CC(=C(C=C3)F)C(=O)N4CCCN(CC4)C(=O)C5=CSC=N5)NC1

InChI

InChI=1S/C24H25FN6O3S/c25-18-5-4-15(12-19-21-16(3-1-6-26-21)22(32)29-28-19)11-17(18)23(33)30-7-2-8-31(10-9-30)24(34)20-13-35-14-27-20/h4-5,11,13-14,26H,1-3,6-10,12H2,(H,29,32)