N-[6-chloranyl-2-[(3S)-3-cyanopyrrolidin-1-yl]quinolin-5-yl]-3-cyclohexyl-propanamide

Systemtic Name: N-[6-chloranyl-2-[(3S)-3-cyanopyrrolidin-1-yl]quinolin-5-yl]-3-cyclohexyl-propanamide Openeye Name: N-[6-chloro-2-[(3S)-3-cyanopyrrolidin-1-yl]-5-quinolyl]-3-cyclohexyl-propanamide CAS Name: N-[6-chloro-2-[(3S)-3-cyano-1-pyrrolidinyl]-5-quinolinyl]-3-cyclohexylpropanamide IUPAC Name: N-[6-chloro-2-[(3S)-3-cyanopyrrolidin-1-yl]quinolin-5-yl]-3-cyclohexylpropanamide Traditional Name: N-[6-chloro-2-[(3S)-3-cyanopyrrolidino]-5-quinolyl]-3-cyclohexyl-propionamide Formula: C23H27ClN4O MolecularWeight: 410.93968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC2=C(C=CC3=C2C=CC(=N3)N4CCC(C4)C#N)Cl

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC2=C(C=CC3=C2C=CC(=N3)N4CC[C@@H](C4)C#N)Cl

InChI

InChI=1S/C23H27ClN4O/c24-19-8-9-20-18(7-10-21(26-20)28-13-12-17(14-25)15-28)23(19)27-22(29)11-6-16-4-2-1-3-5-16/h7-10,16-17H,1-6,11-13,15H2,(H,27,29)/t17-/m1/s1