1-(4-ethylpiperazin-1-yl)-3-[4-[2-(6-methylpyridin-3-yl)ethoxy]phenyl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-[2-(6-methylpyridin-3-yl)ethoxy]phenyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-[2-(6-methyl-3-pyridyl)ethoxy]phenyl]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-[2-(6-methyl-3-pyridinyl)ethoxy]phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-[2-(6-methylpyridin-3-yl)ethoxy]phenyl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-[4-[2-(6-methyl-3-pyridyl)ethoxy]phenyl]isoquinoline Formula: C29H32N4O MolecularWeight: 452.59058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCCC5=CN=C(C=C5)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCCC5=CN=C(C=C5)C

InChI

InChI=1S/C29H32N4O/c1-3-32-15-17-33(18-16-32)29-27-7-5-4-6-25(27)20-28(31-29)24-10-12-26(13-11-24)34-19-14-23-9-8-22(2)30-21-23/h4-13,20-21H,3,14-19H2,1-2H3