N-[2-[[(3S)-3-azanylpyrrolidin-1-yl]methyl]-6-chloranyl-quinolin-5-yl]-2-cyclohexyl-ethanamide

Systemtic Name: N-[2-[[(3S)-3-azanylpyrrolidin-1-yl]methyl]-6-chloranyl-quinolin-5-yl]-2-cyclohexyl-ethanamide Openeye Name: N-[2-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-6-chloro-5-quinolyl]-2-cyclohexyl-acetamide CAS Name: N-[2-[[(3S)-3-amino-1-pyrrolidinyl]methyl]-6-chloro-5-quinolinyl]-2-cyclohexylacetamide IUPAC Name: N-[2-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide Traditional Name: N-[2-[[(3S)-3-aminopyrrolidino]methyl]-6-chloro-5-quinolyl]-2-cyclohexyl-acetamide Formula: C22H29ClN4O MolecularWeight: 400.94486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)NC2=C(C=CC3=C2C=CC(=N3)CN4CCC(C4)N)Cl

Isomeric SMILES

C1CCC(CC1)CC(=O)NC2=C(C=CC3=C2C=CC(=N3)CN4CC[C@@H](C4)N)Cl

InChI

InChI=1S/C22H29ClN4O/c23-19-8-9-20-18(7-6-17(25-20)14-27-11-10-16(24)13-27)22(19)26-21(28)12-15-4-2-1-3-5-15/h6-9,15-16H,1-5,10-14,24H2,(H,26,28)/t16-/m0/s1