4-[(E)-[2-(1-adamantyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-1,5-dimethyl-pyrrole-2-carbonitrile

Systemtic Name: 4-[(E)-[2-(1-adamantyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-1,5-dimethyl-pyrrole-2-carbonitrile Openeye Name: 4-[(E)-[2-(1-adamantyl)-5-oxo-oxazol-4-ylidene]methyl]-1,5-dimethyl-pyrrole-2-carbonitrile CAS Name: 4-[(E)-[2-(1-adamantyl)-5-oxo-4-oxazolylidene]methyl]-1,5-dimethyl-2-pyrrolecarbonitrile IUPAC Name: 4-[(E)-[2-(1-adamantyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile Traditional Name: 4-[(E)-[2-(1-adamantyl)-5-keto-2-oxazolin-4-ylidene]methyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C2C(=O)OC(=N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C/2\C(=O)OC(=N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H23N3O2/c1-12-16(6-17(11-22)24(12)2)7-18-19(25)26-20(23-18)21-8-13-3-14(9-21)5-15(4-13)10-21/h6-7,13-15H,3-5,8-10H2,1-2H3/b18-7+