6,8-bis(bromanyl)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6,8-bis(bromanyl)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 6,8-dibromo-3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]chromen-2-one CAS Name: 6,8-dibromo-3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 6,8-dibromo-3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]chromen-2-one Traditional Name: 6,8-dibromo-3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]coumarin Formula: C21H17Br2ClN2O3 MolecularWeight: 540.63228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC4=CC(=CC(=C4OC3=O)Br)Br

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC4=CC(=CC(=C4OC3=O)Br)Br

InChI

InChI=1S/C21H17Br2ClN2O3/c1-12-2-3-15(24)11-18(12)25-4-6-26(7-5-25)20(27)16-9-13-8-14(22)10-17(23)19(13)29-21(16)28/h2-3,8-11H,4-7H2,1H3