4-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]benzamide pentahydrate tetrahydrochloride

Systemtic Name: 4-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]benzamide pentahydrate tetrahydrochloride Openeye Name: 4-[3-[4-(2-pyridyl)piperazin-1-yl]propanoylamino]benzamide pentahydrate tetrahydrochloride CAS Name: 4-[[1-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]amino]benzamide pentahydrate tetrahydrochloride IUPAC Name: 4-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]benzamide pentahydrate tetrahydrochloride Traditional Name: 4-[3-[4-(2-pyridyl)piperazino]propanoylamino]benzamide pentahydrate tetrahydrochloride Formula: C38H60Cl4N10O9 MolecularWeight: 942.7566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CC=N3.C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CC=N3.O.O.O.O.O.Cl.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CC=N3.C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CC=N3.O.O.O.O.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C19H23N5O2.4ClH.5H2O/c2*20-19(26)15-4-6-16(7-5-15)22-18(25)8-10-23-11-13-24(14-12-23)17-3-1-2-9-21-17;;;;;;;;;/h2*1-7,9H,8,10-14H2,(H2,20,26)(H,22,25);4*1H;5*1H2