3-[(2,3-dimethylcyclohexyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(2,3-dimethylcyclohexyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-[(2,3-dimethylcyclohexyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-[(2,3-dimethylcyclohexyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(2,3-dimethylcyclohexyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-[(2,3-dimethylcyclohexyl)amino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C21H27NO2 MolecularWeight: 325.44458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC2=C(C(=O)C2=O)C3=CC(=C(C=C3C)C)C

Isomeric SMILES

CC1CCCC(C1C)NC2=C(C(=O)C2=O)C3=CC(=C(C=C3C)C)C

InChI

InChI=1S/C21H27NO2/c1-11-7-6-8-17(15(11)5)22-19-18(20(23)21(19)24)16-10-13(3)12(2)9-14(16)4/h9-11,15,17,22H,6-8H2,1-5H3