2-[[[4-(azepan-1-ylcarbonyl)phenyl]amino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[[4-(azepan-1-ylcarbonyl)phenyl]amino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[[4-(azepane-1-carbonyl)anilino]methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]anilino]methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[[4-(azepane-1-carbonyl)anilino]methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[[4-(azepane-1-carbonyl)anilino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=CC=C(C=C2)C(=O)N3CCCCCC3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=CC=C(C=C2)C(=O)N3CCCCCC3)C(=O)C1)C

InChI

InChI=1S/C22H28N2O3/c1-22(2)13-19(25)18(20(26)14-22)15-23-17-9-7-16(8-10-17)21(27)24-11-5-3-4-6-12-24/h7-10,15,23H,3-6,11-14H2,1-2H3