3-[(2,3-dimethylcyclohexyl)-methyl-amino]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(2,3-dimethylcyclohexyl)-methyl-amino]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-[(2,3-dimethylcyclohexyl)-methyl-amino]-4-(p-tolyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[(2,3-dimethylcyclohexyl)-methylamino]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(2,3-dimethylcyclohexyl)-methylamino]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-[(2,3-dimethylcyclohexyl)-methyl-amino]-4-(p-tolyl)cyclobut-3-ene-1,2-quinone Formula: C20H25NO2 MolecularWeight: 311.418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N(C)C2=C(C(=O)C2=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCCC(C1C)N(C)C2=C(C(=O)C2=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H25NO2/c1-12-8-10-15(11-9-12)17-18(20(23)19(17)22)21(4)16-7-5-6-13(2)14(16)3/h8-11,13-14,16H,5-7H2,1-4H3