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

Systemtic Name: 5-(4-ethanoylpiperazin-1-yl)carbonyl-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 5-(4-acetylpiperazine-1-carbonyl)-2-benzyl-isoindoline-1,3-dione CAS Name: 5-[(4-acetyl-1-piperazinyl)-oxomethyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 5-(4-acetylpiperazine-1-carbonyl)-2-benzylisoindole-1,3-dione Traditional Name: 5-(4-acetylpiperazine-1-carbonyl)-2-benzyl-isoindoline-1,3-quinone Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4/c1-15(26)23-9-11-24(12-10-23)20(27)17-7-8-18-19(13-17)22(29)25(21(18)28)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3