3-chloranyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,5-dimethoxyphenyl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,5-dimethoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,5-dimethoxyphenyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,5-dimethoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,5-dimethoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,5-dimethoxyphenyl)-3-pyrroline-2,5-quinone Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C(=C(C2=O)Cl)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C(=C(C2=O)Cl)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H19ClN2O4/c1-27-15-7-8-17(28-2)16(11-15)24-20(25)18(22)19(21(24)26)23-10-9-13-5-3-4-6-14(13)12-23/h3-8,11H,9-10,12H2,1-2H3