2-methyl-3-[2-(2-phenylimidazol-1-yl)ethyl]-3-piperidin-4-yl-isoindol-1-one dihydrochloride

Systemtic Name: 2-methyl-3-[2-(2-phenylimidazol-1-yl)ethyl]-3-piperidin-4-yl-isoindol-1-one dihydrochloride Openeye Name: 2-methyl-3-[2-(2-phenylimidazol-1-yl)ethyl]-3-(4-piperidyl)isoindolin-1-one dihydrochloride CAS Name: 2-methyl-3-[2-(2-phenyl-1-imidazolyl)ethyl]-3-(4-piperidinyl)-1-isoindolone dihydrochloride IUPAC Name: 2-methyl-3-[2-(2-phenylimidazol-1-yl)ethyl]-3-piperidin-4-ylisoindol-1-one dihydrochloride Traditional Name: 2-methyl-3-[2-(2-phenylimidazol-1-yl)ethyl]-3-(4-piperidyl)isoindolin-1-one dihydrochloride Formula: C25H30Cl2N4O MolecularWeight: 473.4379

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CCN3C=CN=C3C4=CC=CC=C4)C5CCNCC5.Cl.Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCN3C=CN=C3C4=CC=CC=C4)C5CCNCC5.Cl.Cl

InChI

InChI=1S/C25H28N4O.2ClH/c1-28-24(30)21-9-5-6-10-22(21)25(28,20-11-14-26-15-12-20)13-17-29-18-16-27-23(29)19-7-3-2-4-8-19;;/h2-10,16,18,20,26H,11-15,17H2,1H3;2*1H