N-methyl-N-[6-(methylamino)hexyl]-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-methyl-N-[6-(methylamino)hexyl]-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-methyl-N-[6-(methylamino)hexyl]-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-methyl-N-[6-(methylamino)hexyl]-2-(1-oxotridecyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-methyl-N-[6-(methylamino)hexyl]-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-methyl-N-[6-(methylamino)hexyl]-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C31H53N3O2 MolecularWeight: 499.77142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CCCCCCNC

Isomeric SMILES

CCCCCCCCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CCCCCCNC

InChI

InChI=1S/C31H53N3O2/c1-4-5-6-7-8-9-10-11-12-15-22-30(35)34-26-28-21-17-16-20-27(28)25-29(34)31(36)33(3)24-19-14-13-18-23-32-2/h16-17,20-21,29,32H,4-15,18-19,22-26H2,1-3H3