2-azanyl-6-(2,5-dimethylphenyl)-4-(4-heptoxyphenyl)pyridine-3-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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