2-azanyl-4-(4-octoxyphenyl)-6-pyridin-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-octoxyphenyl)-6-pyridin-2-yl-pyridine-3-carbonitrile Openeye Name: 2-amino-4-(4-octoxyphenyl)-6-(2-pyridyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(4-octoxyphenyl)-6-(2-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(4-octoxyphenyl)-6-pyridin-2-ylpyridine-3-carbonitrile Traditional Name: 2-amino-4-(4-octoxyphenyl)-6-(2-pyridyl)nicotinonitrile Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=CC=N3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=CC=N3

InChI

InChI=1S/C25H28N4O/c1-2-3-4-5-6-9-16-30-20-13-11-19(12-14-20)21-17-24(23-10-7-8-15-28-23)29-25(27)22(21)18-26/h7-8,10-15,17H,2-6,9,16H2,1H3,(H2,27,29)