5-(3,4-dimethoxyphenyl)-3-[(phenylmethyl)amino]pyrazine-2-carbonitrile

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-[(phenylmethyl)amino]pyrazine-2-carbonitrile Openeye Name: 3-(benzylamino)-5-(3,4-dimethoxyphenyl)pyrazine-2-carbonitrile CAS Name: 5-(3,4-dimethoxyphenyl)-3-[(phenylmethyl)amino]-2-pyrazinecarbonitrile IUPAC Name: 3-(benzylamino)-5-(3,4-dimethoxyphenyl)pyrazine-2-carbonitrile Traditional Name: 3-(benzylamino)-5-(3,4-dimethoxyphenyl)pyrazinonitrile Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C(C(=N2)NCC3=CC=CC=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(C(=N2)NCC3=CC=CC=C3)C#N)OC

InChI

InChI=1S/C20H18N4O2/c1-25-18-9-8-15(10-19(18)26-2)17-13-22-16(11-21)20(24-17)23-12-14-6-4-3-5-7-14/h3-10,13H,12H2,1-2H3,(H,23,24)