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

Systemtic Name: 2-azanyl-4-(4-heptoxyphenyl)-5-(4-methoxyphenyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-amino-4-(4-heptoxyphenyl)-5-(4-methoxyphenyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 2-amino-4-(4-heptoxyphenyl)-5-(4-methoxyphenyl)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(4-heptoxyphenyl)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile Traditional Name: 2-amino-4-(4-heptoxyphenyl)-5-(4-methoxyphenyl)-6-methyl-nicotinonitrile Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C3=CC=C(C=C3)OC)C)N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C3=CC=C(C=C3)OC)C)N)C#N

InChI

InChI=1S/C27H31N3O2/c1-4-5-6-7-8-17-32-23-15-11-21(12-16-23)26-24(18-28)27(29)30-19(2)25(26)20-9-13-22(31-3)14-10-20/h9-16H,4-8,17H2,1-3H3,(H2,29,30)