1-(4-ethylpiperazin-1-yl)-3-[6-(3-propan-2-yloxypropyl)pyridin-3-yl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[6-(3-propan-2-yloxypropyl)pyridin-3-yl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[6-(3-isopropoxypropyl)-3-pyridyl]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[6-(3-propan-2-yloxypropyl)-3-pyridinyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[6-(3-propan-2-yloxypropyl)pyridin-3-yl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-[6-(3-isopropoxypropyl)-3-pyridyl]isoquinoline Formula: C26H34N4O MolecularWeight: 418.57436

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)CCCOC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O/c1-4-29-13-15-30(16-14-29)26-24-10-6-5-8-21(24)18-25(28-26)22-11-12-23(27-19-22)9-7-17-31-20(2)3/h5-6,8,10-12,18-20H,4,7,9,13-17H2,1-3H3