6-(butylamino)-2-chloranyl-2-oxidanyl-3-oxidanylidene-5-(1-phenylbutan-2-yl)quinoline-4-carboxamide

Systemtic Name: 6-(butylamino)-2-chloranyl-2-oxidanyl-3-oxidanylidene-5-(1-phenylbutan-2-yl)quinoline-4-carboxamide Openeye Name: 5-(1-benzylpropyl)-6-(butylamino)-2-chloro-2-hydroxy-3-oxo-quinoline-4-carboxamide CAS Name: 6-(butylamino)-2-chloro-2-hydroxy-3-oxo-5-(1-phenylbutan-2-yl)-4-quinolinecarboxamide IUPAC Name: 6-(butylamino)-2-chloro-2-hydroxy-3-oxo-5-(1-phenylbutan-2-yl)quinoline-4-carboxamide Traditional Name: 5-(1-benzylpropyl)-6-(butylamino)-2-chloro-2-hydroxy-3-keto-cinchoninamide Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C2=C(C(=O)C(N=C2C=C1)(O)Cl)C(=O)N)C(CC)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=C(C2=C(C(=O)C(N=C2C=C1)(O)Cl)C(=O)N)C(CC)CC3=CC=CC=C3

InChI

InChI=1S/C24H28ClN3O3/c1-3-5-13-27-17-11-12-18-20(21(23(26)30)22(29)24(25,31)28-18)19(17)16(4-2)14-15-9-7-6-8-10-15/h6-12,16,27,31H,3-5,13-14H2,1-2H3,(H2,26,30)