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

Systemtic Name: 5,5-dimethyl-2-[[[4-(pyridin-4-ylmethyl)phenyl]amino]methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[[4-(4-pyridylmethyl)anilino]methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[4-(pyridin-4-ylmethyl)anilino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[[4-(pyridin-4-ylmethyl)anilino]methylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[[4-(4-pyridylmethyl)anilino]methylene]cyclohexane-1,3-quinone Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=CC=C(C=C2)CC3=CC=NC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=CC=C(C=C2)CC3=CC=NC=C3)C(=O)C1)C

InChI

InChI=1S/C21H22N2O2/c1-21(2)12-19(24)18(20(25)13-21)14-23-17-5-3-15(4-6-17)11-16-7-9-22-10-8-16/h3-10,14,23H,11-13H2,1-2H3