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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(4-phenoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-phenoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-phenoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-phenoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-phenoxyphenyl)nicotinonitrile Formula: C25H17N3O3 MolecularWeight: 407.42078

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)N)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)N)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H17N3O3/c26-14-21-20(17-8-11-23-24(12-17)30-15-29-23)13-22(28-25(21)27)16-6-9-19(10-7-16)31-18-4-2-1-3-5-18/h1-13H,15H2,(H2,27,28)