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

Systemtic Name: 2-[4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[(3-methylisoxazol-5-yl)methyl]piperazino]butyl]isoindoline-1,3-quinone Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NOC(=C1)CN2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H26N4O3/c1-16-14-17(28-22-16)15-24-12-10-23(11-13-24)8-4-5-9-25-20(26)18-6-2-3-7-19(18)21(25)27/h2-3,6-7,14H,4-5,8-13,15H2,1H3