N-(1-adamantylmethyl)-2-[3-(3-oxidanylpropylamino)propyl]quinoline-5-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-2-[3-(3-oxidanylpropylamino)propyl]quinoline-5-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-5-carboxamide CAS Name: N-(1-adamantylmethyl)-2-[3-(3-hydroxypropylamino)propyl]-5-quinolinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-5-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-[3-(3-hydroxypropylamino)propyl]quinoline-5-carboxamide Formula: C27H37N3O2 MolecularWeight: 435.60158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C5C=CC(=NC5=CC=C4)CCCNCCCO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C5C=CC(=NC5=CC=C4)CCCNCCCO

InChI

InChI=1S/C27H37N3O2/c31-11-3-10-28-9-2-4-22-7-8-23-24(5-1-6-25(23)30-22)26(32)29-18-27-15-19-12-20(16-27)14-21(13-19)17-27/h1,5-8,19-21,28,31H,2-4,9-18H2,(H,29,32)