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

Systemtic Name: 6,8-bis(chloranyl)-3-[4-(3,5-dimethylphenyl)piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 6,8-dichloro-3-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]chromen-2-one CAS Name: 6,8-dichloro-3-[[4-(3,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 6,8-dichloro-3-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]chromen-2-one Traditional Name: 6,8-dichloro-3-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]coumarin Formula: C22H20Cl2N2O3 MolecularWeight: 431.3118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2N2O3/c1-13-7-14(2)9-17(8-13)25-3-5-26(6-4-25)21(27)18-11-15-10-16(23)12-19(24)20(15)29-22(18)28/h7-12H,3-6H2,1-2H3