3-[4-[3-(4-methoxyphenyl)isoquinolin-1-yl]piperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-[3-(4-methoxyphenyl)isoquinolin-1-yl]piperazin-1-yl]propanenitrile Openeye Name: 3-[4-[3-(4-methoxyphenyl)-1-isoquinolyl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[3-(4-methoxyphenyl)-1-isoquinolinyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[3-(4-methoxyphenyl)isoquinolin-1-yl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[3-(4-methoxyphenyl)-1-isoquinolyl]piperazino]propionitrile Formula: C23H24N4O MolecularWeight: 372.46286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CCC#N

InChI

InChI=1S/C23H24N4O/c1-28-20-9-7-18(8-10-20)22-17-19-5-2-3-6-21(19)23(25-22)27-15-13-26(14-16-27)12-4-11-24/h2-3,5-10,17H,4,12-16H2,1H3