N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-indol-5-yl]hexadecanamide

Systemtic Name: N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-indol-5-yl]hexadecanamide Openeye Name: N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-indol-5-yl]hexadecanamide CAS Name: N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-indol-5-yl]hexadecanamide IUPAC Name: N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-indol-5-yl]hexadecanamide Traditional Name: N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-indol-5-yl]palmitamide Formula: C35H51N3O MolecularWeight: 529.79894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)NC=C2CCN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)NC=C2CCN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C35H51N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-35(39)37-32-20-21-34-33(26-32)30(27-36-34)23-25-38-24-22-29-17-15-16-18-31(29)28-38/h15-18,20-21,26-27,36H,2-14,19,22-25,28H2,1H3,(H,37,39)