1-[3-(1,3-benzodioxol-5-yl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-1-piperazinyl]-6,7-dimethoxy-4-isoquinolinecarbonitrile IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)piperazin-1-yl]-6,7-dimethoxyisoquinoline-4-carbonitrile Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)piperazino]-6,7-dimethoxy-isoquinoline-4-carbonitrile Formula: C23H22N4O4 MolecularWeight: 418.44518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2N3CCNC(C3)C4=CC5=C(C=C4)OCO5)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2N3CCNC(C3)C4=CC5=C(C=C4)OCO5)C#N)OC

InChI

InChI=1S/C23H22N4O4/c1-28-20-8-16-15(10-24)11-26-23(17(16)9-21(20)29-2)27-6-5-25-18(12-27)14-3-4-19-22(7-14)31-13-30-19/h3-4,7-9,11,18,25H,5-6,12-13H2,1-2H3