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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)OCCC4=CN=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)OCCC4=CN=C(C=C4)C)C5=CC=CC=C5

InChI

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