3-(2-methyl-4-pyridin-2-yl-piperazin-1-yl)-N-(4-nitrophenyl)propanamide hydrate hydrochloride

Systemtic Name: 3-(2-methyl-4-pyridin-2-yl-piperazin-1-yl)-N-(4-nitrophenyl)propanamide hydrate hydrochloride Openeye Name: 3-[2-methyl-4-(2-pyridyl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide hydrate hydrochloride CAS Name: 3-[2-methyl-4-(2-pyridinyl)-1-piperazinyl]-N-(4-nitrophenyl)propanamide hydrate hydrochloride IUPAC Name: 3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)-N-(4-nitrophenyl)propanamide hydrate hydrochloride Traditional Name: 3-[2-methyl-4-(2-pyridyl)piperazino]-N-(4-nitrophenyl)propionamide hydrate hydrochloride Formula: C19H26ClN5O4 MolecularWeight: 423.89384

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O3.ClH.H2O/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);1H;1H2