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

Systemtic Name: 1-[3-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile Openeye Name: 1-[3-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile CAS Name: 1-[3-(4-fluorophenyl)-1-piperazinyl]-6,7-dimethoxy-4-isoquinolinecarbonitrile IUPAC Name: 1-[3-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyisoquinoline-4-carbonitrile Traditional Name: 1-[3-(4-fluorophenyl)piperazino]-6,7-dimethoxy-isoquinoline-4-carbonitrile Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2N3CCNC(C3)C4=CC=C(C=C4)F)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2N3CCNC(C3)C4=CC=C(C=C4)F)C#N)OC

InChI

InChI=1S/C22H21FN4O2/c1-28-20-9-17-15(11-24)12-26-22(18(17)10-21(20)29-2)27-8-7-25-19(13-27)14-3-5-16(23)6-4-14/h3-6,9-10,12,19,25H,7-8,13H2,1-2H3