3-(2-methyl-4-pyridin-2-yl-piperazin-1-yl)-N-(4-nitrophenyl)propanamide dihydrate dihydrochloride

Systemtic Name: 3-(2-methyl-4-pyridin-2-yl-piperazin-1-yl)-N-(4-nitrophenyl)propanamide dihydrate dihydrochloride Openeye Name: 3-[2-methyl-4-(2-pyridyl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide dihydrate dihydrochloride CAS Name: 3-[2-methyl-4-(2-pyridinyl)-1-piperazinyl]-N-(4-nitrophenyl)propanamide dihydrate dihydrochloride IUPAC Name: 3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-N-(4-nitrophenyl)propanamide dihydrate dihydrochloride Traditional Name: 3-[2-methyl-4-(2-pyridyl)piperazino]-N-(4-nitrophenyl)propionamide dihydrate dihydrochloride Formula: C19H29Cl2N5O5 MolecularWeight: 478.37006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3.O.O.Cl.Cl

Isomeric SMILES

CC1CN(CCN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3.O.O.Cl.Cl

InChI

InChI=1S/C19H23N5O3.2ClH.2H2O/c1-15-14-23(18-4-2-3-10-20-18)13-12-22(15)11-9-19(25)21-16-5-7-17(8-6-16)24(26)27;;;;/h2-8,10,15H,9,11-14H2,1H3,(H,21,25);2*1H;2*1H2