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

Systemtic Name: 6,7-dimethoxy-1-[3-(3-nitrophenyl)piperazin-1-yl]isoquinoline-4-carbonitrile Openeye Name: 6,7-dimethoxy-1-[3-(3-nitrophenyl)piperazin-1-yl]isoquinoline-4-carbonitrile CAS Name: 6,7-dimethoxy-1-[3-(3-nitrophenyl)-1-piperazinyl]-4-isoquinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-1-[3-(3-nitrophenyl)piperazin-1-yl]isoquinoline-4-carbonitrile Traditional Name: 6,7-dimethoxy-1-[3-(3-nitrophenyl)piperazino]isoquinoline-4-carbonitrile Formula: C22H21N5O4 MolecularWeight: 419.43324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2N3CCNC(C3)C4=CC(=CC=C4)[N+](=O)[O-])C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2N3CCNC(C3)C4=CC(=CC=C4)[N+](=O)[O-])C#N)OC

InChI

InChI=1S/C22H21N5O4/c1-30-20-9-17-15(11-23)12-25-22(18(17)10-21(20)31-2)26-7-6-24-19(13-26)14-4-3-5-16(8-14)27(28)29/h3-5,8-10,12,19,24H,6-7,13H2,1-2H3