5-[3-(tert-butylamino)-1-(1,2-oxazol-3-yl)propyl]-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-[3-(tert-butylamino)-1-(1,2-oxazol-3-yl)propyl]-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-[3-(tert-butylamino)-1-isoxazol-3-yl-propyl]-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-[3-(tert-butylamino)-1-(3-isoxazolyl)propyl]-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-[3-(tert-butylamino)-1-(1,2-oxazol-3-yl)propyl]-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-[3-(tert-butylamino)-1-isoxazol-3-yl-propyl]-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C17H21N3O2 MolecularWeight: 299.36754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCC(C1C=CC=C(C1=O)C#N)C2=NOC=C2

Isomeric SMILES

CC(C)(C)NCCC(C1C=CC=C(C1=O)C#N)C2=NOC=C2

InChI

InChI=1S/C17H21N3O2/c1-17(2,3)19-9-7-13(15-8-10-22-20-15)14-6-4-5-12(11-18)16(14)21/h4-6,8,10,13-14,19H,7,9H2,1-3H3