N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide hydrate dihydrochloride

Systemtic Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide hydrate dihydrochloride Openeye Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzofuran-2-carboxamide hydrate dihydrochloride CAS Name: N-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-2-benzofurancarboxamide hydrate dihydrochloride IUPAC Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide hydrate dihydrochloride Traditional Name: N-[2-[4-(2-pyrimidyl)piperazino]ethyl]coumarilamide hydrate dihydrochloride Formula: C19H25Cl2N5O3 MolecularWeight: 442.3395

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC3=CC=CC=C3O2)C4=NC=CC=N4.O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC3=CC=CC=C3O2)C4=NC=CC=N4.O.Cl.Cl

InChI

InChI=1S/C19H21N5O2.2ClH.H2O/c25-18(17-14-15-4-1-2-5-16(15)26-17)20-8-9-23-10-12-24(13-11-23)19-21-6-3-7-22-19;;;/h1-7,14H,8-13H2,(H,20,25);2*1H;1H2