2-chloranyl-4-[(5-fluoranyl-2-methyl-phenyl)methyl-[(3S)-1-[(2S)-2-oxidanylpropanoyl]pyrrolidin-3-yl]amino]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[(5-fluoranyl-2-methyl-phenyl)methyl-[(3S)-1-[(2S)-2-oxidanylpropanoyl]pyrrolidin-3-yl]amino]benzenecarbonitrile Openeye Name: 2-chloro-4-[(5-fluoro-2-methyl-phenyl)methyl-[(3S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]amino]benzonitrile CAS Name: 2-chloro-4-[(5-fluoro-2-methylphenyl)methyl-[(3S)-1-[(2S)-2-hydroxy-1-oxopropyl]-3-pyrrolidinyl]amino]benzonitrile IUPAC Name: 2-chloro-4-[(5-fluoro-2-methylphenyl)methyl-[(3S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]amino]benzonitrile Traditional Name: 2-chloro-4-[(5-fluoro-2-methyl-benzyl)-[(3S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-3-yl]amino]benzonitrile Formula: C22H23ClFN3O2 MolecularWeight: 415.888323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CN(C2CCN(C2)C(=O)C(C)O)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)F)CN([C@H]2CCN(C2)C(=O)[C@H](C)O)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C22H23ClFN3O2/c1-14-3-5-18(24)9-17(14)12-27(19-6-4-16(11-25)21(23)10-19)20-7-8-26(13-20)22(29)15(2)28/h3-6,9-10,15,20,28H,7-8,12-13H2,1-2H3/t15-,20-/m0/s1