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

Systemtic Name: 2-azanyl-4-(4-heptoxyphenyl)-5,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-amino-4-(4-heptoxyphenyl)-5,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-amino-4-(4-heptoxyphenyl)-5,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(4-heptoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-amino-4-(4-heptoxyphenyl)-5,6-dimethyl-nicotinonitrile Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-4-5-6-7-8-13-25-18-11-9-17(10-12-18)20-15(2)16(3)24-21(23)19(20)14-22/h9-12H,4-8,13H2,1-3H3,(H2,23,24)