N-[4-(propanoylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate dihydrochloride

Systemtic Name: N-[4-(propanoylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate dihydrochloride Openeye Name: N-[4-(propanoylamino)phenyl]-3-[4-(2-pyridyl)piperazin-1-yl]propanamide hydrate dihydrochloride CAS Name: N-[4-(1-oxopropylamino)phenyl]-3-[4-(2-pyridinyl)-1-piperazinyl]propanamide hydrate dihydrochloride IUPAC Name: N-[4-(propanoylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate dihydrochloride Traditional Name: N-(4-propionamidophenyl)-3-[4-(2-pyridyl)piperazino]propionamide hydrate dihydrochloride Formula: C21H31Cl2N5O3 MolecularWeight: 472.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.O.Cl.Cl

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.O.Cl.Cl

InChI

InChI=1S/C21H27N5O2.2ClH.H2O/c1-2-20(27)23-17-6-8-18(9-7-17)24-21(28)10-12-25-13-15-26(16-14-25)19-5-3-4-11-22-19;;;/h3-9,11H,2,10,12-16H2,1H3,(H,23,27)(H,24,28);2*1H;1H2