3-[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-(1-azepanyl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Formula: C17H18F3N3O MolecularWeight: 337.33953

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O/c18-17(19,20)13-11-12(14-6-8-16(24)22-21-14)5-7-15(13)23-9-3-1-2-4-10-23/h5-8,11H,1-4,9-10H2,(H,22,24)