3-[3-[4-(phenylmethyl)piperazin-1-yl]propanoyl]chromen-2-one dihydrochloride

Systemtic Name: 3-[3-[4-(phenylmethyl)piperazin-1-yl]propanoyl]chromen-2-one dihydrochloride Openeye Name: 3-[3-(4-benzylpiperazin-1-yl)propanoyl]chromen-2-one dihydrochloride CAS Name: 3-[1-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1-benzopyran-2-one dihydrochloride IUPAC Name: 3-[3-(4-benzylpiperazin-1-yl)propanoyl]chromen-2-one dihydrochloride Traditional Name: 3-[3-(4-benzylpiperazino)propanoyl]coumarin dihydrochloride Formula: C23H26Cl2N2O3 MolecularWeight: 449.37014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC3=CC=CC=C3OC2=O)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC3=CC=CC=C3OC2=O)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C23H24N2O3.2ClH/c26-21(20-16-19-8-4-5-9-22(19)28-23(20)27)10-11-24-12-14-25(15-13-24)17-18-6-2-1-3-7-18;;/h1-9,16H,10-15,17H2;2*1H