2-[4-ethyl-3-[3-(1-phenylethylamino)propyl]phenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-ethyl-3-[3-(1-phenylethylamino)propyl]phenyl]isoindole-1,3-dione Openeye Name: 2-[4-ethyl-3-[3-(1-phenylethylamino)propyl]phenyl]isoindoline-1,3-dione CAS Name: 2-[4-ethyl-3-[3-(1-phenylethylamino)propyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-ethyl-3-[3-(1-phenylethylamino)propyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[4-ethyl-3-[3-(1-phenylethylamino)propyl]phenyl]isoindoline-1,3-quinone Formula: C27H28N2O2 MolecularWeight: 412.52342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)CCCNC(C)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)CCCNC(C)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c1-3-20-15-16-23(29-26(30)24-13-7-8-14-25(24)27(29)31)18-22(20)12-9-17-28-19(2)21-10-5-4-6-11-21/h4-8,10-11,13-16,18-19,28H,3,9,12,17H2,1-2H3