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

Systemtic Name: 2-butyl-5-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-[(3-methylisoxazol-5-yl)methyl]piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-[(3-methylisoxazol-5-yl)methyl]piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC(=NO4)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC(=NO4)C

InChI

InChI=1S/C22H26N4O4/c1-3-4-7-26-21(28)18-6-5-16(13-19(18)22(26)29)20(27)25-10-8-24(9-11-25)14-17-12-15(2)23-30-17/h5-6,12-13H,3-4,7-11,14H2,1-2H3