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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(CC1=CC=CC=C1)(C(C=O)O)NC(=O)C2=NC3=CC=CC=C3C=C2Cl

Isomeric SMILES

CCCCNC(CC1=CC=CC=C1)(C(C=O)O)NC(=O)C2=NC3=CC=CC=C3C=C2Cl

InChI

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