2-(cyclobuten-1-ylamino)-5-(heptan-2-ylamino)-3,4-bis(oxidanylidene)cyclohexa-1,5-diene-1-carbonitrile

Systemtic Name: 2-(cyclobuten-1-ylamino)-5-(heptan-2-ylamino)-3,4-bis(oxidanylidene)cyclohexa-1,5-diene-1-carbonitrile Openeye Name: 2-(cyclobuten-1-ylamino)-5-(1-methylhexylamino)-3,4-dioxo-cyclohexa-1,5-diene-1-carbonitrile CAS Name: 2-(1-cyclobutenylamino)-5-(heptan-2-ylamino)-3,4-dioxo-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: 2-(cyclobuten-1-ylamino)-5-(heptan-2-ylamino)-3,4-dioxocyclohexa-1,5-diene-1-carbonitrile Traditional Name: 2-(cyclobuten-1-ylamino)-3,4-diketo-5-(1-methylhexylamino)cyclohexa-1,5-diene-1-carbonitrile Formula: C18H23N3O2 MolecularWeight: 313.39412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=CC(=C(C(=O)C1=O)NC2=CCC2)C#N

Isomeric SMILES

CCCCCC(C)NC1=CC(=C(C(=O)C1=O)NC2=CCC2)C#N

InChI

InChI=1S/C18H23N3O2/c1-3-4-5-7-12(2)20-15-10-13(11-19)16(18(23)17(15)22)21-14-8-6-9-14/h8,10,12,20-21H,3-7,9H2,1-2H3