2-azanyl-4-(4-heptoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-heptoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(4-heptoxyphenyl)-6-(4-isobutylphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(4-heptoxyphenyl)-6-[4-(2-methylpropyl)phenyl]-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(4-heptoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(4-heptoxyphenyl)-6-(4-isobutylphenyl)nicotinonitrile Formula: C29H35N3O MolecularWeight: 441.6077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O/c1-4-5-6-7-8-17-33-25-15-13-23(14-16-25)26-19-28(32-29(31)27(26)20-30)24-11-9-22(10-12-24)18-21(2)3/h9-16,19,21H,4-8,17-18H2,1-3H3,(H2,31,32)