6-bromanyl-2-(4-butylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(4-butylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-butylphenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-butylphenyl)-N-[[(2S)-2-oxolanyl]methyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-butylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-butylphenyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]cinchoninamide Formula: C25H27BrN2O2 MolecularWeight: 467.39808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4CCCO4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC[C@@H]4CCCO4

InChI

InChI=1S/C25H27BrN2O2/c1-2-3-5-17-7-9-18(10-8-17)24-15-22(21-14-19(26)11-12-23(21)28-24)25(29)27-16-20-6-4-13-30-20/h7-12,14-15,20H,2-6,13,16H2,1H3,(H,27,29)/t20-/m0/s1