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

Systemtic Name: 6,8-bis(bromanyl)-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 6,8-dibromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]chromen-2-one CAS Name: 6,8-dibromo-3-[[4-(3,4-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 6,8-dibromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]chromen-2-one Traditional Name: 6,8-dibromo-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]coumarin Formula: C22H20Br2N2O3 MolecularWeight: 520.2138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Br2N2O3/c1-13-3-4-17(9-14(13)2)25-5-7-26(8-6-25)21(27)18-11-15-10-16(23)12-19(24)20(15)29-22(18)28/h3-4,9-12H,5-8H2,1-2H3