2-chloranyl-4-[[(3S)-1-(2-methyl-2-oxidanyl-propanoyl)pyrrolidin-3-yl]-(phenylmethyl)amino]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[[(3S)-1-(2-methyl-2-oxidanyl-propanoyl)pyrrolidin-3-yl]-(phenylmethyl)amino]benzenecarbonitrile Openeye Name: 4-[benzyl-[(3S)-1-(2-hydroxy-2-methyl-propanoyl)pyrrolidin-3-yl]amino]-2-chloro-benzonitrile CAS Name: 2-chloro-4-[[(3S)-1-(2-hydroxy-2-methyl-1-oxopropyl)-3-pyrrolidinyl]-(phenylmethyl)amino]benzonitrile IUPAC Name: 4-[benzyl-[(3S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]amino]-2-chlorobenzonitrile Traditional Name: 4-[benzyl-[(3S)-1-(2-hydroxy-2-methyl-propanoyl)pyrrolidin-3-yl]amino]-2-chloro-benzonitrile Formula: C22H24ClN3O2 MolecularWeight: 397.89786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2/c1-22(2,28)21(27)25-11-10-19(15-25)26(14-16-6-4-3-5-7-16)18-9-8-17(13-24)20(23)12-18/h3-9,12,19,28H,10-11,14-15H2,1-2H3/t19-/m0/s1