1-[(4-tert-butylphenyl)methyl]-4-(furan-2-yl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-4-(furan-2-yl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[(4-tert-butylphenyl)methyl]-4-(2-furyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-(2-furanyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-(furan-2-yl)-2-oxopyridine-3-carbonitrile Traditional Name: 1-(4-tert-butylbenzyl)-4-(2-furyl)-2-keto-nicotinonitrile Formula: C21H20N2O2 MolecularWeight: 332.3957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=CC(=C(C2=O)C#N)C3=CC=CO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=CC(=C(C2=O)C#N)C3=CC=CO3

InChI

InChI=1S/C21H20N2O2/c1-21(2,3)16-8-6-15(7-9-16)14-23-11-10-17(18(13-22)20(23)24)19-5-4-12-25-19/h4-12H,14H2,1-3H3