2-azanyl-6-(3-chlorophenyl)-5-methyl-4-(4-octoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-6-(3-chlorophenyl)-5-methyl-4-(4-octoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-octoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-octoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-octoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-octoxyphenyl)nicotinonitrile Formula: C27H30ClN3O MolecularWeight: 447.9996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClN3O/c1-3-4-5-6-7-8-16-32-23-14-12-20(13-15-23)25-19(2)26(31-27(30)24(25)18-29)21-10-9-11-22(28)17-21/h9-15,17H,3-8,16H2,1-2H3,(H2,30,31)