6-bromanyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one

Systemtic Name: 6-bromanyl-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one Openeye Name: 6-bromo-3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-8-methoxy-chromen-2-one CAS Name: 6-bromo-3-[[4-(3,4-dichlorophenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one Traditional Name: 6-bromo-3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-8-methoxy-coumarin Formula: C21H17BrCl2N2O4 MolecularWeight: 512.18068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H17BrCl2N2O4/c1-29-18-10-13(22)8-12-9-15(21(28)30-19(12)18)20(27)26-6-4-25(5-7-26)14-2-3-16(23)17(24)11-14/h2-3,8-11H,4-7H2,1H3