6-bromanyl-3-[4-(3,5-dimethylphenyl)piperazin-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-bromanyl-3-[4-(3,5-dimethylphenyl)piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 6-bromo-3-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]chromen-2-one CAS Name: 6-bromo-3-[[4-(3,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]chromen-2-one Traditional Name: 6-bromo-3-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]coumarin Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O)C

InChI

InChI=1S/C22H21BrN2O3/c1-14-9-15(2)11-18(10-14)24-5-7-25(8-6-24)21(26)19-13-16-12-17(23)3-4-20(16)28-22(19)27/h3-4,9-13H,5-8H2,1-2H3