2-azanyl-4-[4-methoxy-3-[2,2,2-tris(fluoranyl)ethoxymethyl]phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-methoxy-3-[2,2,2-tris(fluoranyl)ethoxymethyl]phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-amino-4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-amino-4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-amino-4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C21H22F3N3O2 MolecularWeight: 405.41349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCCC3)N)C#N)COCC(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCCC3)N)C#N)COCC(F)(F)F

InChI

InChI=1S/C21H22F3N3O2/c1-28-18-8-7-13(9-14(18)11-29-12-21(22,23)24)19-15-5-3-2-4-6-17(15)27-20(26)16(19)10-25/h7-9H,2-6,11-12H2,1H3,(H2,26,27)