4-[[4-[3,5-bis(chloranyl)phenyl]carbonylpiperazin-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-[3,5-bis(chloranyl)phenyl]carbonylpiperazin-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-[(3,5-dichlorophenyl)-oxomethyl]-1-piperazinyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[4-(3,5-dichlorobenzoyl)piperazino]methyl]-7-hydroxy-8-methyl-coumarin Formula: C22H20Cl2N2O4 MolecularWeight: 447.3112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)C(=O)C4=CC(=CC(=C4)Cl)Cl)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)C(=O)C4=CC(=CC(=C4)Cl)Cl)O

InChI

InChI=1S/C22H20Cl2N2O4/c1-13-19(27)3-2-18-15(10-20(28)30-21(13)18)12-25-4-6-26(7-5-25)22(29)14-8-16(23)11-17(24)9-14/h2-3,8-11,27H,4-7,12H2,1H3