4-[[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]methyl]-6-chloranyl-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]methyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-(5-bromo-2-pyridyl)piperazin-1-yl]methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[4-(5-bromo-2-pyridinyl)-1-piperazinyl]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(5-bromopyridin-2-yl)piperazin-1-yl]methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[4-(5-bromo-2-pyridyl)piperazino]methyl]-6-chloro-7-methyl-coumarin Formula: C20H19BrClN3O2 MolecularWeight: 448.74076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C4=NC=C(C=C4)Br)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C4=NC=C(C=C4)Br)Cl

InChI

InChI=1S/C20H19BrClN3O2/c1-13-8-18-16(10-17(13)22)14(9-20(26)27-18)12-24-4-6-25(7-5-24)19-3-2-15(21)11-23-19/h2-3,8-11H,4-7,12H2,1H3