4-azanyl-3,5,5-tricyano-2-methyl-N-pentyl-6-phenyl-cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: 4-azanyl-3,5,5-tricyano-2-methyl-N-pentyl-6-phenyl-cyclohexa-1,3-diene-1-carboxamide Openeye Name: 4-amino-3,5,5-tricyano-2-methyl-N-pentyl-6-phenyl-cyclohexa-1,3-diene-1-carboxamide CAS Name: 4-amino-3,5,5-tricyano-2-methyl-N-pentyl-6-phenyl-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: 4-amino-3,5,5-tricyano-2-methyl-N-pentyl-6-phenylcyclohexa-1,3-diene-1-carboxamide Traditional Name: 4-amino-N-amyl-3,5,5-tricyano-2-methyl-6-phenyl-cyclohexa-1,3-diene-1-carboxamide Formula: C22H23N5O MolecularWeight: 373.45092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=C(C(=C(C(C1C2=CC=CC=C2)(C#N)C#N)N)C#N)C

Isomeric SMILES

CCCCCNC(=O)C1=C(C(=C(C(C1C2=CC=CC=C2)(C#N)C#N)N)C#N)C

InChI

InChI=1S/C22H23N5O/c1-3-4-8-11-27-21(28)18-15(2)17(12-23)20(26)22(13-24,14-25)19(18)16-9-6-5-7-10-16/h5-7,9-10,19H,3-4,8,11,26H2,1-2H3,(H,27,28)