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

Systemtic Name: 6-bromanyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one Openeye Name: 6-bromo-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methoxy-chromen-2-one CAS Name: 6-bromo-3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one Traditional Name: 6-bromo-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methoxy-coumarin Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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)OC)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN2O4/c1-14-5-4-6-19(15(14)2)25-7-9-26(10-8-25)22(27)18-12-16-11-17(24)13-20(29-3)21(16)30-23(18)28/h4-6,11-13H,7-10H2,1-3H3