3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C22H21NO2 MolecularWeight: 331.40764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)N3CCC4=CC=CC=C4C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)N3CCC4=CC=CC=C4C3)C)C

InChI

InChI=1S/C22H21NO2/c1-13-10-15(3)18(11-14(13)2)19-20(22(25)21(19)24)23-9-8-16-6-4-5-7-17(16)12-23/h4-7,10-11H,8-9,12H2,1-3H3