6-[3-(trifluoromethyl)phenyl]-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide

Systemtic Name: 6-[3-(trifluoromethyl)phenyl]-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide Openeye Name: 6-[3-(trifluoromethyl)phenyl]-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboxamidine CAS Name: 6-[3-(trifluoromethyl)phenyl]-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide IUPAC Name: 6-[3-(trifluoromethyl)phenyl]-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide Traditional Name: 6-[3-(trifluoromethyl)phenyl]-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboxamidine Formula: C25H22F3N3 MolecularWeight: 421.45749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3C1C(NC4=C3C=C(C=C4)C(=N)N)C5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

C1CC2=CC=CC=C2C3C1C(NC4=C3C=C(C=C4)C(=N)N)C5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C25H22F3N3/c26-25(27,28)17-6-3-5-15(12-17)23-19-10-8-14-4-1-2-7-18(14)22(19)20-13-16(24(29)30)9-11-21(20)31-23/h1-7,9,11-13,19,22-23,31H,8,10H2,(H3,29,30)