4-(1,3-benzodioxol-5-ylamino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-ylamino)-5-(3,4-dimethoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-5-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-5-(3,4-dimethoxyphenyl)nicotinonitrile Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=CN=C2)C#N)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=CN=C2)C#N)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H17N3O4/c1-25-17-5-3-13(7-19(17)26-2)16-11-23-10-14(9-22)21(16)24-15-4-6-18-20(8-15)28-12-27-18/h3-8,10-11H,12H2,1-2H3,(H,23,24)