7-[3-[4-(3-chloranylpyridin-2-yl)piperazin-1-yl]propoxy]chromen-2-one hydrochloride

Systemtic Name: 7-[3-[4-(3-chloranylpyridin-2-yl)piperazin-1-yl]propoxy]chromen-2-one hydrochloride Openeye Name: 7-[3-[4-(3-chloro-2-pyridyl)piperazin-1-yl]propoxy]chromen-2-one hydrochloride CAS Name: 7-[3-[4-(3-chloro-2-pyridinyl)-1-piperazinyl]propoxy]-1-benzopyran-2-one hydrochloride IUPAC Name: 7-[3-[4-(3-chloropyridin-2-yl)piperazin-1-yl]propoxy]chromen-2-one hydrochloride Traditional Name: 7-[3-[4-(3-chloro-2-pyridyl)piperazino]propoxy]coumarin hydrochloride Formula: C21H23Cl2N3O3 MolecularWeight: 436.33162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC3=C(C=C2)C=CC(=O)O3)C4=C(C=CC=N4)Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCOC2=CC3=C(C=C2)C=CC(=O)O3)C4=C(C=CC=N4)Cl.Cl

InChI

InChI=1S/C21H22ClN3O3.ClH/c22-18-3-1-8-23-21(18)25-12-10-24(11-13-25)9-2-14-27-17-6-4-16-5-7-20(26)28-19(16)15-17;/h1,3-8,15H,2,9-14H2;1H