3-[6-(3,6-dihydro-2H-pyran-4-yl)pyridin-3-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline

Systemtic Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)pyridin-3-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline Openeye Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-3-pyridyl]-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-1-(4-ethyl-1-piperazinyl)isoquinoline IUPAC Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)pyridin-3-yl]-1-(4-ethylpiperazin-1-yl)isoquinoline Traditional Name: 3-[6-(3,6-dihydro-2H-pyran-4-yl)-3-pyridyl]-1-(4-ethylpiperazino)isoquinoline Formula: C25H28N4O MolecularWeight: 400.51602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(C=C4)C5=CCOCC5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(C=C4)C5=CCOCC5

InChI

InChI=1S/C25H28N4O/c1-2-28-11-13-29(14-12-28)25-22-6-4-3-5-20(22)17-24(27-25)21-7-8-23(26-18-21)19-9-15-30-16-10-19/h3-9,17-18H,2,10-16H2,1H3