N-[(1R)-1-(1-adamantyl)ethyl]-6-bromanyl-2-(3-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-bromanyl-2-(3-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-bromo-2-(3-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-bromo-2-(3-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-bromo-2-(3-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-bromo-2-m-phenetyl-cinchoninamide Formula: C30H33BrN2O2 MolecularWeight: 533.49922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC(C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N[C@H](C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H33BrN2O2/c1-3-35-24-6-4-5-22(12-24)28-14-26(25-13-23(31)7-8-27(25)33-28)29(34)32-18(2)30-15-19-9-20(16-30)11-21(10-19)17-30/h4-8,12-14,18-21H,3,9-11,15-17H2,1-2H3,(H,32,34)/t18-,19?,20?,21?,30?/m1/s1