1-(4-ethylpiperazin-1-yl)-2-(3-propan-2-yloxypropyl)-3-pyridin-3-yl-1H-isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-(3-propan-2-yloxypropyl)-3-pyridin-3-yl-1H-isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-2-(3-isopropoxypropyl)-3-(3-pyridyl)-1H-isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-2-(3-propan-2-yloxypropyl)-3-(3-pyridinyl)-1H-isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-2-(3-propan-2-yloxypropyl)-3-pyridin-3-yl-1H-isoquinoline Traditional Name: 1-(4-ethylpiperazino)-2-(3-isopropoxypropyl)-3-(3-pyridyl)-1H-isoquinoline Formula: C26H36N4O MolecularWeight: 420.59024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2C3=CC=CC=C3C=C(N2CCCOC(C)C)C4=CN=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2C3=CC=CC=C3C=C(N2CCCOC(C)C)C4=CN=CC=C4

InChI

InChI=1S/C26H36N4O/c1-4-28-14-16-29(17-15-28)26-24-11-6-5-9-22(24)19-25(23-10-7-12-27-20-23)30(26)13-8-18-31-21(2)3/h5-7,9-12,19-21,26H,4,8,13-18H2,1-3H3