3-[6-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[6-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzenecarbonitrile Openeye Name: 3-[6-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzonitrile CAS Name: 3-[6-[4-(3,4-dimethoxyphenyl)-1-piperazinyl]-2-pyrazinyl]benzonitrile IUPAC Name: 3-[6-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzonitrile Traditional Name: 3-[6-[4-(3,4-dimethoxyphenyl)piperazino]pyrazin-2-yl]benzonitrile Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=CC(=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=CC(=C4)C#N)OC

InChI

InChI=1S/C23H23N5O2/c1-29-21-7-6-19(13-22(21)30-2)27-8-10-28(11-9-27)23-16-25-15-20(26-23)18-5-3-4-17(12-18)14-24/h3-7,12-13,15-16H,8-11H2,1-2H3