N-[4-(butylamino)-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]-2-chloranyl-quinoline-4-carboxamide

Systemtic Name: N-[4-(butylamino)-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]-2-chloranyl-quinoline-4-carboxamide Openeye Name: N-[1-benzyl-3-(butylamino)-2-hydroxy-3-oxo-propyl]-2-chloro-quinoline-4-carboxamide CAS Name: N-[4-(butylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-chloro-4-quinolinecarboxamide IUPAC Name: N-[4-(butylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-chloroquinoline-4-carboxamide Traditional Name: N-[1-benzyl-3-(butylamino)-2-hydroxy-3-keto-propyl]-2-chloro-cinchoninamide Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C(CC1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)Cl)O

Isomeric SMILES

CCCCNC(=O)C(C(CC1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)Cl)O

InChI

InChI=1S/C24H26ClN3O3/c1-2-3-13-26-24(31)22(29)20(14-16-9-5-4-6-10-16)28-23(30)18-15-21(25)27-19-12-8-7-11-17(18)19/h4-12,15,20,22,29H,2-3,13-14H2,1H3,(H,26,31)(H,28,30)