4-(1-azanylethyl)-2-chloranyl-N-pyridin-4-yl-benzamide hydrate dihydrobromide

Systemtic Name: 4-(1-azanylethyl)-2-chloranyl-N-pyridin-4-yl-benzamide hydrate dihydrobromide Openeye Name: 4-(1-aminoethyl)-2-chloro-N-(4-pyridyl)benzamide hydrate dihydrobromide CAS Name: 4-(1-aminoethyl)-2-chloro-N-pyridin-4-ylbenzamide hydrate dihydrobromide IUPAC Name: 4-(1-aminoethyl)-2-chloro-N-pyridin-4-ylbenzamide hydrate dihydrobromide Traditional Name: 4-(1-aminoethyl)-2-chloro-N-(4-pyridyl)benzamide hydrate dihydrobromide Formula: C14H18Br2ClN3O2 MolecularWeight: 455.57262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C(=O)NC2=CC=NC=C2)Cl)N.O.Br.Br

Isomeric SMILES

CC(C1=CC(=C(C=C1)C(=O)NC2=CC=NC=C2)Cl)N.O.Br.Br

InChI

InChI=1S/C14H14ClN3O.2BrH.H2O/c1-9(16)10-2-3-12(13(15)8-10)14(19)18-11-4-6-17-7-5-11;;;/h2-9H,16H2,1H3,(H,17,18,19);2*1H;1H2