4-[(2,6-dimethyl-4-pyrrolidin-1-yl-quinolin-7-yl)methylamino]-2-(trifluoromethyl)benzenecarbonitrile methanoate

Systemtic Name: 4-[(2,6-dimethyl-4-pyrrolidin-1-yl-quinolin-7-yl)methylamino]-2-(trifluoromethyl)benzenecarbonitrile methanoate Openeye Name: 4-[(2,6-dimethyl-4-pyrrolidin-1-yl-7-quinolyl)methylamino]-2-(trifluoromethyl)benzonitrile formate CAS Name: 4-[[2,6-dimethyl-4-(1-pyrrolidinyl)-7-quinolinyl]methylamino]-2-(trifluoromethyl)benzonitrile formate IUPAC Name: 4-[(2,6-dimethyl-4-pyrrolidin-1-ylquinolin-7-yl)methylamino]-2-(trifluoromethyl)benzonitrile formate Traditional Name: 4-[(2,6-dimethyl-4-pyrrolidino-7-quinolyl)methylamino]-2-(trifluoromethyl)benzonitrile formate Formula: C25H24F3N4O2- MolecularWeight: 469.47887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=N2)C)N3CCCC3)CNC4=CC(=C(C=C4)C#N)C(F)(F)F.C(=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=N2)C)N3CCCC3)CNC4=CC(=C(C=C4)C#N)C(F)(F)F.C(=O)[O-]

InChI

InChI=1S/C24H23F3N4.CH2O2/c1-15-9-20-22(30-16(2)10-23(20)31-7-3-4-8-31)11-18(15)14-29-19-6-5-17(13-28)21(12-19)24(25,26)27;2-1-3/h5-6,9-12,29H,3-4,7-8,14H2,1-2H3;1H,(H,2,3)/p-1