2-(1-adamantyl)-N-[[4-(aminomethyl)phenyl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-(aminomethyl)phenyl]methyl]quinoline-4-carboxamide Openeye Name: 2-(1-adamantyl)-N-[[4-(aminomethyl)phenyl]methyl]quinoline-4-carboxamide CAS Name: 2-(1-adamantyl)-N-[[4-(aminomethyl)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(aminomethyl)phenyl]methyl]quinoline-4-carboxamide Traditional Name: 2-(1-adamantyl)-N-[4-(aminomethyl)benzyl]cinchoninamide Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=CC=CC=C5C(=C4)C(=O)NCC6=CC=C(C=C6)CN

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=CC=CC=C5C(=C4)C(=O)NCC6=CC=C(C=C6)CN

InChI

InChI=1S/C28H31N3O/c29-16-18-5-7-19(8-6-18)17-30-27(32)24-12-26(31-25-4-2-1-3-23(24)25)28-13-20-9-21(14-28)11-22(10-20)15-28/h1-8,12,20-22H,9-11,13-17,29H2,(H,30,32)