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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2N2O3/c1-13-4-3-5-19(14(13)2)25-6-8-26(9-7-25)21(27)17-11-15-10-16(23)12-18(24)20(15)29-22(17)28/h3-5,10-12H,6-9H2,1-2H3