6,8-bis(chloranyl)-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6,8-bis(chloranyl)-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-6,8-dichloro-chromen-2-one CAS Name: 6,8-dichloro-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-6,8-dichlorochromen-2-one Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-6,8-dichloro-coumarin Formula: C21H18Cl2N2O3 MolecularWeight: 417.28522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=CC(=CC(=C4OC3=O)Cl)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=CC(=CC(=C4OC3=O)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O3/c22-16-10-15-11-17(21(27)28-19(15)18(23)12-16)20(26)25-8-6-24(7-9-25)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2