6-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 6-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 6-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 6-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one Traditional Name: 6-[4-(2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-pyridazin-3-one Formula: C21H21FN4O3S MolecularWeight: 428.479843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2F)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2F)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21FN4O3S/c22-18-9-4-5-10-19(18)30(28,29)25-14-6-13-24(15-16-25)20-11-12-21(27)26(23-20)17-7-2-1-3-8-17/h1-5,7-12H,6,13-16H2