2-[[2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-[1-(3-thienylmethyl)-4-piperidyl]imidazol-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[1-(3-thiophenylmethyl)-4-piperidinyl]-1-imidazolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-[1-(3-thenyl)-4-piperidyl]imidazol-1-yl]methyl]isoindoline-1,3-quinone Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C(=O)C4=CC=CC=C4C3=O)CC5=CSC=C5

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C(=O)C4=CC=CC=C4C3=O)CC5=CSC=C5

InChI

InChI=1S/C22H22N4O2S/c27-21-18-3-1-2-4-19(18)22(28)26(21)15-25-11-8-23-20(25)17-5-9-24(10-6-17)13-16-7-12-29-14-16/h1-4,7-8,11-12,14,17H,5-6,9-10,13,15H2