3-(bromomethyl)-5-(1-cyclohexylethyl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 3-(bromomethyl)-5-(1-cyclohexylethyl)-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-(bromomethyl)-5-(1-cyclohexylethyl)-2-phenyl-quinoline-4-carboxamide CAS Name: 3-(bromomethyl)-5-(1-cyclohexylethyl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-(bromomethyl)-5-(1-cyclohexylethyl)-2-phenylquinoline-4-carboxamide Traditional Name: 3-(bromomethyl)-5-(1-cyclohexylethyl)-2-phenyl-cinchoninamide Formula: C25H27BrN2O MolecularWeight: 451.39868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)C2=C3C(=CC=C2)N=C(C(=C3C(=O)N)CBr)C4=CC=CC=C4

Isomeric SMILES

CC(C1CCCCC1)C2=C3C(=CC=C2)N=C(C(=C3C(=O)N)CBr)C4=CC=CC=C4

InChI

InChI=1S/C25H27BrN2O/c1-16(17-9-4-2-5-10-17)19-13-8-14-21-22(19)23(25(27)29)20(15-26)24(28-21)18-11-6-3-7-12-18/h3,6-8,11-14,16-17H,2,4-5,9-10,15H2,1H3,(H2,27,29)