4-phenyl-2-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]pyridazin-3-one

Systemtic Name: 4-phenyl-2-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]pyridazin-3-one Openeye Name: 4-phenyl-2-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]pyridazin-3-one CAS Name: 4-phenyl-2-[2-(1-pyrrolidinyl)ethyl]-6-[3-(trifluoromethyl)phenyl]-3-pyridazinone IUPAC Name: 4-phenyl-2-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]pyridazin-3-one Traditional Name: 4-phenyl-2-(2-pyrrolidinoethyl)-6-[3-(trifluoromethyl)phenyl]pyridazin-3-one Formula: C23H22F3N3O MolecularWeight: 413.43549

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C(=O)C(=CC(=N2)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCN2C(=O)C(=CC(=N2)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C23H22F3N3O/c24-23(25,26)19-10-6-9-18(15-19)21-16-20(17-7-2-1-3-8-17)22(30)29(27-21)14-13-28-11-4-5-12-28/h1-3,6-10,15-16H,4-5,11-14H2