4-[[2,4-bis(fluoranyl)phenyl]methyl-[(3S)-1-(2-methyl-2-oxidanyl-propanoyl)pyrrolidin-3-yl]amino]-2-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[[2,4-bis(fluoranyl)phenyl]methyl-[(3S)-1-(2-methyl-2-oxidanyl-propanoyl)pyrrolidin-3-yl]amino]-2-chloranyl-benzenecarbonitrile Openeye Name: 2-chloro-4-[(2,4-difluorophenyl)methyl-[(3S)-1-(2-hydroxy-2-methyl-propanoyl)pyrrolidin-3-yl]amino]benzonitrile CAS Name: 2-chloro-4-[(2,4-difluorophenyl)methyl-[(3S)-1-(2-hydroxy-2-methyl-1-oxopropyl)-3-pyrrolidinyl]amino]benzonitrile IUPAC Name: 2-chloro-4-[(2,4-difluorophenyl)methyl-[(3S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]amino]benzonitrile Traditional Name: 2-chloro-4-[(2,4-difluorobenzyl)-[(3S)-1-(2-hydroxy-2-methyl-propanoyl)pyrrolidin-3-yl]amino]benzonitrile Formula: C22H22ClF2N3O2 MolecularWeight: 433.878786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCC(C1)N(CC2=C(C=C(C=C2)F)F)C3=CC(=C(C=C3)C#N)Cl)O

Isomeric SMILES

CC(C)(C(=O)N1CC[C@@H](C1)N(CC2=C(C=C(C=C2)F)F)C3=CC(=C(C=C3)C#N)Cl)O

InChI

InChI=1S/C22H22ClF2N3O2/c1-22(2,30)21(29)27-8-7-18(13-27)28(12-15-3-5-16(24)9-20(15)25)17-6-4-14(11-26)19(23)10-17/h3-6,9-10,18,30H,7-8,12-13H2,1-2H3/t18-/m0/s1