2-azanyl-4-[2,5-dimethyl-3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-[2,5-dimethyl-3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-[2,5-dimethyl-3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-[2,5-dimethyl-3-[[3-(trifluoromethyl)-1-pyrazolyl]methyl]phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-[2,5-dimethyl-3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-[2,5-dimethyl-3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C24H25F3N5+ MolecularWeight: 440.48401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N)C)CN4C=CC(=N4)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N)C)CN4C=CC(=N4)C(F)(F)F

InChI

InChI=1S/C24H24F3N5/c1-14-10-16(13-32-9-8-21(31-32)24(25,26)27)15(2)18(11-14)22-17-6-4-3-5-7-20(17)30-23(29)19(22)12-28/h8-11H,3-7,13H2,1-2H3,(H2,29,30)/p+1