N-(6-azanylhexyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(6-azanylhexyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(6-aminohexyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(6-aminohexyl)-2-(1-oxotridecyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(6-aminohexyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(6-aminohexyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C29H49N3O2 MolecularWeight: 471.71826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCCCCN

Isomeric SMILES

CCCCCCCCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCCCCN

InChI

InChI=1S/C29H49N3O2/c1-2-3-4-5-6-7-8-9-10-13-20-28(33)32-24-26-19-15-14-18-25(26)23-27(32)29(34)31-22-17-12-11-16-21-30/h14-15,18-19,27H,2-13,16-17,20-24,30H2,1H3,(H,31,34)