3-pyridin-2-yl-4-undecyl-isoquinolin-1-amine

Systemtic Name: 3-pyridin-2-yl-4-undecyl-isoquinolin-1-amine Openeye Name: 3-(2-pyridyl)-4-undecyl-isoquinolin-1-amine CAS Name: 3-(2-pyridinyl)-4-undecyl-1-isoquinolinamine IUPAC Name: 3-pyridin-2-yl-4-undecylisoquinolin-1-amine Traditional Name: [3-(2-pyridyl)-4-undecyl-1-isoquinolyl]amine Formula: C25H33N3 MolecularWeight: 375.54962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(N=C(C2=CC=CC=C21)N)C3=CC=CC=N3

Isomeric SMILES

CCCCCCCCCCCC1=C(N=C(C2=CC=CC=C21)N)C3=CC=CC=N3

InChI

InChI=1S/C25H33N3/c1-2-3-4-5-6-7-8-9-10-16-21-20-15-11-12-17-22(20)25(26)28-24(21)23-18-13-14-19-27-23/h11-15,17-19H,2-10,16H2,1H3,(H2,26,28)