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

Systemtic Name: 2-[[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-[1-(thiazol-2-ylmethyl)-4-piperidyl]imidazol-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[1-(2-thiazolylmethyl)-4-piperidinyl]-1-imidazolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-[1-(thiazol-2-ylmethyl)-4-piperidyl]imidazol-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C(=O)C4=CC=CC=C4C3=O)CC5=NC=CS5

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C(=O)C4=CC=CC=C4C3=O)CC5=NC=CS5

InChI

InChI=1S/C21H21N5O2S/c27-20-16-3-1-2-4-17(16)21(28)26(20)14-25-11-7-23-19(25)15-5-9-24(10-6-15)13-18-22-8-12-29-18/h1-4,7-8,11-12,15H,5-6,9-10,13-14H2