6-chloranyl-N-(cyclohexylmethyl)-2-[3-(2-hydroxyethylamino)azetidin-1-yl]quinoline-5-carboxamide

Systemtic Name: 6-chloranyl-N-(cyclohexylmethyl)-2-[3-(2-hydroxyethylamino)azetidin-1-yl]quinoline-5-carboxamide Openeye Name: 6-chloro-N-(cyclohexylmethyl)-2-[3-(2-hydroxyethylamino)azetidin-1-yl]quinoline-5-carboxamide CAS Name: 6-chloro-N-(cyclohexylmethyl)-2-[3-(2-hydroxyethylamino)-1-azetidinyl]-5-quinolinecarboxamide IUPAC Name: 6-chloro-N-(cyclohexylmethyl)-2-[3-(2-hydroxyethylamino)azetidin-1-yl]quinoline-5-carboxamide Traditional Name: 6-chloro-N-(cyclohexylmethyl)-2-[3-(2-hydroxyethylamino)azetidin-1-yl]quinoline-5-carboxamide Formula: C22H29ClN4O2 MolecularWeight: 416.94426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CC(C4)NCCO)Cl

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CC(C4)NCCO)Cl

InChI

InChI=1S/C22H29ClN4O2/c23-18-7-8-19-17(21(18)22(29)25-12-15-4-2-1-3-5-15)6-9-20(26-19)27-13-16(14-27)24-10-11-28/h6-9,15-16,24,28H,1-5,10-14H2,(H,25,29)