4-butyl-5-[4-(piperidin-1-ylmethyl)pyrazol-1-yl]oxy-isoindole-1,3-dione

Systemtic Name: 4-butyl-5-[4-(piperidin-1-ylmethyl)pyrazol-1-yl]oxy-isoindole-1,3-dione Openeye Name: 4-butyl-5-[4-(1-piperidylmethyl)pyrazol-1-yl]oxy-isoindoline-1,3-dione CAS Name: 4-butyl-5-[[4-(1-piperidinylmethyl)-1-pyrazolyl]oxy]isoindole-1,3-dione IUPAC Name: 4-butyl-5-[4-(piperidin-1-ylmethyl)pyrazol-1-yl]oxyisoindole-1,3-dione Traditional Name: 4-butyl-5-[4-(piperidinomethyl)pyrazol-1-yl]oxy-isoindoline-1,3-quinone Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1C(=O)NC2=O)ON3C=C(C=N3)CN4CCCCC4

Isomeric SMILES

CCCCC1=C(C=CC2=C1C(=O)NC2=O)ON3C=C(C=N3)CN4CCCCC4

InChI

InChI=1S/C21H26N4O3/c1-2-3-7-16-18(9-8-17-19(16)21(27)23-20(17)26)28-25-14-15(12-22-25)13-24-10-5-4-6-11-24/h8-9,12,14H,2-7,10-11,13H2,1H3,(H,23,26,27)