2-butoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]quinoline-4-carboxamide hydrate dihydrochloride

Systemtic Name: 2-butoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]quinoline-4-carboxamide hydrate dihydrochloride Openeye Name: 2-butoxy-N-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]quinoline-4-carboxamide hydrate dihydrochloride CAS Name: 2-butoxy-N-[2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-4-quinolinecarboxamide hydrate dihydrochloride IUPAC Name: 2-butoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]quinoline-4-carboxamide hydrate dihydrochloride Traditional Name: 2-butoxy-N-[2-[4-(2-pyridyl)piperazino]ethyl]cinchoninamide hydrate dihydrochloride Formula: C25H35Cl2N5O3 MolecularWeight: 524.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN3CCN(CC3)C4=CC=CC=N4.O.Cl.Cl

Isomeric SMILES

CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN3CCN(CC3)C4=CC=CC=N4.O.Cl.Cl

InChI

InChI=1S/C25H31N5O2.2ClH.H2O/c1-2-3-18-32-24-19-21(20-8-4-5-9-22(20)28-24)25(31)27-12-13-29-14-16-30(17-15-29)23-10-6-7-11-26-23;;;/h4-11,19H,2-3,12-18H2,1H3,(H,27,31);2*1H;1H2