1-(4-ethylpiperazin-1-yl)-4-[2-(oxan-4-yl)phenyl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-4-[2-(oxan-4-yl)phenyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-4-(2-tetrahydropyran-4-ylphenyl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-4-[2-(4-oxanyl)phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-4-[2-(oxan-4-yl)phenyl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-4-(2-tetrahydropyran-4-ylphenyl)isoquinoline Formula: C26H31N3O MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C4=CC=CC=C4C5CCOCC5

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C4=CC=CC=C4C5CCOCC5

InChI

InChI=1S/C26H31N3O/c1-2-28-13-15-29(16-14-28)26-24-10-6-5-9-23(24)25(19-27-26)22-8-4-3-7-21(22)20-11-17-30-18-12-20/h3-10,19-20H,2,11-18H2,1H3