2-[1-[3-(3-isoquinolin-1-ylprop-2-ynoxy)phenyl]-1-methoxy-propyl]-1,3-thiazole

Systemtic Name: 2-[1-[3-(3-isoquinolin-1-ylprop-2-ynoxy)phenyl]-1-methoxy-propyl]-1,3-thiazole Openeye Name: 2-[1-[3-[3-(1-isoquinolyl)prop-2-ynoxy]phenyl]-1-methoxy-propyl]thiazole CAS Name: 2-[1-[3-[3-(1-isoquinolinyl)prop-2-ynoxy]phenyl]-1-methoxypropyl]thiazole IUPAC Name: 2-[1-[3-(3-isoquinolin-1-ylprop-2-ynoxy)phenyl]-1-methoxypropyl]-1,3-thiazole Traditional Name: 2-[1-[3-[3-(1-isoquinolyl)prop-2-ynoxy]phenyl]-1-methoxy-propyl]thiazole Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)OCC#CC2=NC=CC3=CC=CC=C32)(C4=NC=CS4)OC

Isomeric SMILES

CCC(C1=CC(=CC=C1)OCC#CC2=NC=CC3=CC=CC=C32)(C4=NC=CS4)OC

InChI

InChI=1S/C25H22N2O2S/c1-3-25(28-2,24-27-15-17-30-24)20-9-6-10-21(18-20)29-16-7-12-23-22-11-5-4-8-19(22)13-14-26-23/h4-6,8-11,13-15,17-18H,3,16H2,1-2H3