5,5-dimethyl-2-[1-(2-phenanthridin-6-ylhydrazinyl)butylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[1-(2-phenanthridin-6-ylhydrazinyl)butylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[1-(2-phenanthridin-6-ylhydrazino)butylidene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[1-(6-phenanthridinylhydrazo)butylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[1-(2-phenanthridin-6-ylhydrazinyl)butylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[1-(N'-phenanthridin-6-ylhydrazino)butylidene]cyclohexane-1,3-quinone Formula: C25H27N3O2 MolecularWeight: 401.50078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)(C)C)NNC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)(C)C)NNC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C25H27N3O2/c1-4-9-20(23-21(29)14-25(2,3)15-22(23)30)27-28-24-18-12-6-5-10-16(18)17-11-7-8-13-19(17)26-24/h5-8,10-13,27H,4,9,14-15H2,1-3H3,(H,26,28)