9-[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole

Systemtic Name: 9-[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole Openeye Name: 9-[4-isopropoxy-2-(trifluoromethyl)phenyl]-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole CAS Name: 9-[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole IUPAC Name: 9-[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole Traditional Name: 9-[4-isopropoxy-2-(trifluoromethyl)phenyl]-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepin[1,7-a]indole Formula: C22H25F3N2O MolecularWeight: 390.44191

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)C2=CC3=C(C=C2)N4CCNCCC4C3)C(F)(F)F

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)C2=CC3=C(C=C2)N4CCNCCC4C3)C(F)(F)F

InChI

InChI=1S/C22H25F3N2O/c1-14(2)28-18-4-5-19(20(13-18)22(23,24)25)15-3-6-21-16(11-15)12-17-7-8-26-9-10-27(17)21/h3-6,11,13-14,17,26H,7-10,12H2,1-2H3