N-[6-chloranyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]quinolin-5-yl]-2-[(4-cyanophenyl)amino]ethanamide

Systemtic Name: N-[6-chloranyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]quinolin-5-yl]-2-[(4-cyanophenyl)amino]ethanamide Openeye Name: N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-quinolyl]-2-(4-cyanoanilino)acetamide CAS Name: N-[6-chloro-2-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-quinolinyl]-2-(4-cyanoanilino)acetamide IUPAC Name: N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-cyanoanilino)acetamide Traditional Name: N-[6-chloro-2-[(3R)-3-hydroxypyrrolidino]-5-quinolyl]-2-(4-cyanoanilino)acetamide Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)NC(=O)CNC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(C[C@@H]1O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)NC(=O)CNC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H20ClN5O2/c23-18-6-7-19-17(5-8-20(26-19)28-10-9-16(29)13-28)22(18)27-21(30)12-25-15-3-1-14(11-24)2-4-15/h1-8,16,25,29H,9-10,12-13H2,(H,27,30)/t16-/m1/s1