2-methyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-methyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-(4-benzylpiperazine-1-carbonyl)-2-methyl-isoindoline-1,3-dione CAS Name: 2-methyl-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 5-(4-benzylpiperazine-1-carbonyl)-2-methylisoindole-1,3-dione Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)-2-methyl-isoindoline-1,3-quinone Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3/c1-22-20(26)17-8-7-16(13-18(17)21(22)27)19(25)24-11-9-23(10-12-24)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3