4-[4-[4-(piperidin-1-ylmethyl)pyrazol-1-yl]oxybutyl]isoindole-1,3-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CN(N=C2)OCCCCC3=CC=CC4=C3C(=O)NC4=O

Isomeric SMILES

C1CCN(CC1)CC2=CN(N=C2)OCCCCC3=CC=CC4=C3C(=O)NC4=O

InChI

InChI=1S/C21H26N4O3/c26-20-18-9-6-8-17(19(18)21(27)23-20)7-2-5-12-28-25-15-16(13-22-25)14-24-10-3-1-4-11-24/h6,8-9,13,15H,1-5,7,10-12,14H2,(H,23,26,27)