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

Systemtic Name: 2-azanyl-6-(4-bromophenyl)-4-(4-heptoxyphenyl)-5-methyl-pyridine-3-carbonitrile Openeye Name: 2-amino-6-(4-bromophenyl)-4-(4-heptoxyphenyl)-5-methyl-pyridine-3-carbonitrile CAS Name: 2-amino-6-(4-bromophenyl)-4-(4-heptoxyphenyl)-5-methyl-3-pyridinecarbonitrile IUPAC Name: 2-amino-6-(4-bromophenyl)-4-(4-heptoxyphenyl)-5-methylpyridine-3-carbonitrile Traditional Name: 2-amino-6-(4-bromophenyl)-4-(4-heptoxyphenyl)-5-methyl-nicotinonitrile Formula: C26H28BrN3O MolecularWeight: 478.42402

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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)Br)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrN3O/c1-3-4-5-6-7-16-31-22-14-10-19(11-15-22)24-18(2)25(30-26(29)23(24)17-28)20-8-12-21(27)13-9-20/h8-15H,3-7,16H2,1-2H3,(H2,29,30)