N-(4-nitrophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate dihydrochloride

Systemtic Name: N-(4-nitrophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate dihydrochloride Openeye Name: N-(4-nitrophenyl)-3-[4-(2-pyridyl)piperazin-1-yl]propanamide hydrate dihydrochloride CAS Name: N-(4-nitrophenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]propanamide hydrate dihydrochloride IUPAC Name: N-(4-nitrophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate dihydrochloride Traditional Name: N-(4-nitrophenyl)-3-[4-(2-pyridyl)piperazino]propionamide hydrate dihydrochloride Formula: C18H25Cl2N5O4 MolecularWeight: 446.3282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3.O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3.O.Cl.Cl

InChI

InChI=1S/C18H21N5O3.2ClH.H2O/c24-18(20-15-4-6-16(7-5-15)23(25)26)8-10-21-11-13-22(14-12-21)17-3-1-2-9-19-17;;;/h1-7,9H,8,10-14H2,(H,20,24);2*1H;1H2