2-azanyl-6-(3-methylphenyl)-4-(4-octoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-6-(3-methylphenyl)-4-(4-octoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-6-(m-tolyl)-4-(4-octoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-6-(3-methylphenyl)-4-(4-octoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-6-(3-methylphenyl)-4-(4-octoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-6-(m-tolyl)-4-(4-octoxyphenyl)nicotinonitrile Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O/c1-3-4-5-6-7-8-16-31-23-14-12-21(13-15-23)24-18-26(30-27(29)25(24)19-28)22-11-9-10-20(2)17-22/h9-15,17-18H,3-8,16H2,1-2H3,(H2,29,30)