3-azanyl-4-butanoyl-5-phenyl-cyclopenta-2,4-diene-1,1,2-tricarbonitrile

Systemtic Name: 3-azanyl-4-butanoyl-5-phenyl-cyclopenta-2,4-diene-1,1,2-tricarbonitrile Openeye Name: 3-amino-4-butanoyl-5-phenyl-cyclopenta-2,4-diene-1,1,2-tricarbonitrile CAS Name: 3-amino-4-(1-oxobutyl)-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile IUPAC Name: 3-amino-4-butanoyl-5-phenylcyclopenta-2,4-diene-1,1,2-tricarbonitrile Traditional Name: 3-amino-4-butyryl-5-phenyl-cyclopenta-2,4-diene-1,1,2-tricarbonitrile Formula: C18H14N4O MolecularWeight: 302.32996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(C(=C1N)C#N)(C#N)C#N)C2=CC=CC=C2

Isomeric SMILES

CCCC(=O)C1=C(C(C(=C1N)C#N)(C#N)C#N)C2=CC=CC=C2

InChI

InChI=1S/C18H14N4O/c1-2-6-14(23)15-16(12-7-4-3-5-8-12)18(10-20,11-21)13(9-19)17(15)22/h3-5,7-8H,2,6,22H2,1H3