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

Systemtic Name: 2-chloranyl-4-[(5-fluoranyl-2-methyl-phenyl)methyl]-3-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]benzenecarbonitrile Openeye Name: 2-chloro-4-[(5-fluoro-2-methyl-phenyl)methyl]-3-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]benzonitrile CAS Name: 2-chloro-4-[(5-fluoro-2-methylphenyl)methyl]-3-[[(3S)-1-(1-oxopropyl)-3-pyrrolidinyl]amino]benzonitrile IUPAC Name: 2-chloro-4-[(5-fluoro-2-methylphenyl)methyl]-3-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]benzonitrile Traditional Name: 2-chloro-4-(5-fluoro-2-methyl-benzyl)-3-[[(3S)-1-propionylpyrrolidin-3-yl]amino]benzonitrile Formula: C22H23ClFN3O MolecularWeight: 399.888923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(C1)NC2=C(C=CC(=C2Cl)C#N)CC3=C(C=CC(=C3)F)C

Isomeric SMILES

CCC(=O)N1CC[C@@H](C1)NC2=C(C=CC(=C2Cl)C#N)CC3=C(C=CC(=C3)F)C

InChI

InChI=1S/C22H23ClFN3O/c1-3-20(28)27-9-8-19(13-27)26-22-15(5-6-16(12-25)21(22)23)10-17-11-18(24)7-4-14(17)2/h4-7,11,19,26H,3,8-10,13H2,1-2H3/t19-/m0/s1