N-[(1R)-1-(1-adamantyl)ethyl]-6-bromanyl-2-(2,5-dimethylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-bromanyl-2-(2,5-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-bromo-2-(2,5-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-bromo-2-(2,5-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-bromo-2-(2,5-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-bromo-2-(2,5-dimethylphenyl)cinchoninamide Formula: C30H33BrN2O MolecularWeight: 517.49982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC(C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N[C@H](C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H33BrN2O/c1-17-4-5-18(2)24(8-17)28-13-26(25-12-23(31)6-7-27(25)33-28)29(34)32-19(3)30-14-20-9-21(15-30)11-22(10-20)16-30/h4-8,12-13,19-22H,9-11,14-16H2,1-3H3,(H,32,34)/t19-,20?,21?,22?,30?/m1/s1