N-(2-bromanyl-4-methyl-phenyl)-1-(3-methylbutyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-(3-methylbutyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-hydroxy-1-isopentyl-4-oxo-quinoline-3-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-2-hydroxy-1-(3-methylbutyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-hydroxy-1-(3-methylbutyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-hydroxy-1-isoamyl-4-keto-quinoline-3-carboxamide Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CCC(C)C)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=C3C2=O)CCC(C)C)O)Br

InChI

InChI=1S/C22H23BrN2O3/c1-13(2)10-11-25-18-7-5-4-6-15(18)20(26)19(22(25)28)21(27)24-17-9-8-14(3)12-16(17)23/h4-9,12-13,28H,10-11H2,1-3H3,(H,24,27)