2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-5-methyl-isoindole-1,3-dione

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]-5-methyl-isoindoline-1,3-quinone Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N2O3/c1-15-8-9-18-19(13-15)22(27)24(21(18)26)11-4-7-20(25)23-12-10-16-5-2-3-6-17(16)14-23/h2-3,5-6,8-9,13H,4,7,10-12,14H2,1H3