2-[3-[4-(2-chloroethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(2-chloroethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(2-chloroethyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(2-chloroethyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(2-chloroethyl)-1-oxo-3,4-dihydroisoquinolin-2-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(2-chloroethyl)-1-keto-3,4-dihydroisoquinolin-2-yl]propyl]isoindoline-1,3-quinone Formula: C22H21ClN2O3 MolecularWeight: 396.86674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2C(=O)N1CCCN3C(=O)C4=CC=CC=C4C3=O)CCCl

Isomeric SMILES

C1C(C2=CC=CC=C2C(=O)N1CCCN3C(=O)C4=CC=CC=C4C3=O)CCCl

InChI

InChI=1S/C22H21ClN2O3/c23-11-10-15-14-24(20(26)17-7-2-1-6-16(15)17)12-5-13-25-21(27)18-8-3-4-9-19(18)22(25)28/h1-4,6-9,15H,5,10-14H2