5-(4-ethanoylpiperazin-1-yl)carbonyl-2-(3-propan-2-yloxypropyl)isoindole-1,3-dione

Systemtic Name: 5-(4-ethanoylpiperazin-1-yl)carbonyl-2-(3-propan-2-yloxypropyl)isoindole-1,3-dione Openeye Name: 5-(4-acetylpiperazine-1-carbonyl)-2-(3-isopropoxypropyl)isoindoline-1,3-dione CAS Name: 5-[(4-acetyl-1-piperazinyl)-oxomethyl]-2-(3-propan-2-yloxypropyl)isoindole-1,3-dione IUPAC Name: 5-(4-acetylpiperazine-1-carbonyl)-2-(3-propan-2-yloxypropyl)isoindole-1,3-dione Traditional Name: 5-(4-acetylpiperazine-1-carbonyl)-2-(3-isopropoxypropyl)isoindoline-1,3-quinone Formula: C21H27N3O5 MolecularWeight: 401.45618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H27N3O5/c1-14(2)29-12-4-7-24-20(27)17-6-5-16(13-18(17)21(24)28)19(26)23-10-8-22(9-11-23)15(3)25/h5-6,13-14H,4,7-12H2,1-3H3