4-chloranyl-5-(2-ethyl-4,4,6-trimethyl-azepan-1-yl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one

Systemtic Name: 4-chloranyl-5-(2-ethyl-4,4,6-trimethyl-azepan-1-yl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one Openeye Name: 4-chloro-5-(2-ethyl-4,4,6-trimethyl-azepan-1-yl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one CAS Name: 4-chloro-5-(2-ethyl-4,4,6-trimethyl-1-azepanyl)-2-[(4-fluorophenyl)methyl]-3-pyridazinone IUPAC Name: 4-chloro-5-(2-ethyl-4,4,6-trimethylazepan-1-yl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one Traditional Name: 4-chloro-5-(2-ethyl-4,4,6-trimethyl-azepan-1-yl)-2-(4-fluorobenzyl)pyridazin-3-one Formula: C22H29ClFN3O MolecularWeight: 405.936563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CC(CN1C2=C(C(=O)N(N=C2)CC3=CC=C(C=C3)F)Cl)C)(C)C

Isomeric SMILES

CCC1CC(CC(CN1C2=C(C(=O)N(N=C2)CC3=CC=C(C=C3)F)Cl)C)(C)C

InChI

InChI=1S/C22H29ClFN3O/c1-5-18-11-22(3,4)10-15(2)13-26(18)19-12-25-27(21(28)20(19)23)14-16-6-8-17(24)9-7-16/h6-9,12,15,18H,5,10-11,13-14H2,1-4H3