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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-[2-(6-methylpyridin-2-yl)ethoxy]phenyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-[2-(6-methyl-2-pyridyl)ethoxy]phenyl]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-[2-(6-methylpyridin-2-yl)ethoxy]phenyl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-[4-[2-(6-methyl-2-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=CC=CC(=N5)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCCC5=CC=CC(=N5)C

InChI

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