2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyphenyl)nicotinonitrile Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NC(=C(C(=C2)C3=CC4=C(C=C3)OCO4)C#N)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NC(=C(C(=C2)C3=CC4=C(C=C3)OCO4)C#N)N

InChI

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