3-azanyl-5-(phenylmethyl)-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

Systemtic Name: 3-azanyl-5-(phenylmethyl)-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one Openeye Name: 3-amino-5-benzyl-2-[2-isopropoxy-3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one CAS Name: 3-amino-5-(phenylmethyl)-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1-cyclopent-2-enone IUPAC Name: 3-amino-5-benzyl-2-[2-propan-2-yloxy-3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one Traditional Name: 3-amino-5-benzyl-2-[2-isopropoxy-3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one Formula: C22H22F3NO2 MolecularWeight: 389.41079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1C(F)(F)F)C2=C(CC(C2=O)CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)OC1=C(C=CC=C1C(F)(F)F)C2=C(CC(C2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C22H22F3NO2/c1-13(2)28-21-16(9-6-10-17(21)22(23,24)25)19-18(26)12-15(20(19)27)11-14-7-4-3-5-8-14/h3-10,13,15H,11-12,26H2,1-2H3