1-[3-(2,4-dichlorophenyl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile

Systemtic Name: 1-[3-(2,4-dichlorophenyl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile Openeye Name: 1-[3-(2,4-dichlorophenyl)piperazin-1-yl]-6,7-dimethoxy-isoquinoline-4-carbonitrile CAS Name: 1-[3-(2,4-dichlorophenyl)-1-piperazinyl]-6,7-dimethoxy-4-isoquinolinecarbonitrile IUPAC Name: 1-[3-(2,4-dichlorophenyl)piperazin-1-yl]-6,7-dimethoxyisoquinoline-4-carbonitrile Traditional Name: 1-[3-(2,4-dichlorophenyl)piperazino]-6,7-dimethoxy-isoquinoline-4-carbonitrile Formula: C22H20Cl2N4O2 MolecularWeight: 443.3258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2N4O2/c1-29-20-8-16-13(10-25)11-27-22(17(16)9-21(20)30-2)28-6-5-26-19(12-28)15-4-3-14(23)7-18(15)24/h3-4,7-9,11,19,26H,5-6,12H2,1-2H3