2-azanyl-4-(4-heptoxyphenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-heptoxyphenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-4-(4-heptoxyphenyl)-5-methyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(4-heptoxyphenyl)-5-methyl-6-(4-methylphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(4-heptoxyphenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-4-(4-heptoxyphenyl)-5-methyl-6-(p-tolyl)nicotinonitrile Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C)C3=CC=C(C=C3)C)N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C)C3=CC=C(C=C3)C)N)C#N

InChI

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