1-(2-fluorophenyl)-6-methyl-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]pyridazin-4-one

Systemtic Name: 1-(2-fluorophenyl)-6-methyl-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]pyridazin-4-one Openeye Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one CAS Name: 1-(2-fluorophenyl)-6-methyl-3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-4-pyridazinone IUPAC Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one Traditional Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-1-(2-fluorophenyl)-6-methyl-pyridazin-4-one Formula: C24H25FN4O2 MolecularWeight: 420.479303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25FN4O2/c1-18-16-22(30)23(26-29(18)21-11-6-5-10-20(21)25)24(31)28-13-7-12-27(14-15-28)17-19-8-3-2-4-9-19/h2-6,8-11,16H,7,12-15,17H2,1H3