N-(1-adamantylmethyl)-2-(4-butoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-2-(4-butoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-(4-butoxyphenyl)quinoline-4-carboxamide CAS Name: N-(1-adamantylmethyl)-2-(4-butoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-(4-butoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-(4-butoxyphenyl)cinchoninamide Formula: C31H36N2O2 MolecularWeight: 468.62974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H36N2O2/c1-2-3-12-35-25-10-8-24(9-11-25)29-16-27(26-6-4-5-7-28(26)33-29)30(34)32-20-31-17-21-13-22(18-31)15-23(14-21)19-31/h4-11,16,21-23H,2-3,12-15,17-20H2,1H3,(H,32,34)