2,6-bis(phenylmethyl)cyclohexane-1,4-dione; N-methylmethanamine

Systemtic Name: 2,6-bis(phenylmethyl)cyclohexane-1,4-dione; N-methylmethanamine Openeye Name: 2,6-dibenzylcyclohexane-1,4-dione; N-methylmethanamine CAS Name: 2,6-bis(phenylmethyl)cyclohexane-1,4-dione; N-methylmethanamine IUPAC Name: 2,6-dibenzylcyclohexane-1,4-dione; N-methylmethanamine Traditional Name: 2,6-dibenzylcyclohexane-1,4-quinone; dimethylamine Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CNC.C1C(C(=O)C(CC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CNC.C1C(C(=O)C(CC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H20O2.C2H7N/c21-19-13-17(11-15-7-3-1-4-8-15)20(22)18(14-19)12-16-9-5-2-6-10-16;1-3-2/h1-10,17-18H,11-14H2;3H,1-2H3