3-bromanyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-bromanyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-bromo-7-hydroxy-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 3-bromo-7-hydroxy-8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-bromo-7-hydroxy-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 3-bromo-7-hydroxy-8-[[4-(4-methoxyphenyl)piperazino]methyl]coumarin Formula: C21H21BrN2O4 MolecularWeight: 445.30644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CC3=C(C=CC4=C3OC(=O)C(=C4)Br)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CC3=C(C=CC4=C3OC(=O)C(=C4)Br)O

InChI

InChI=1S/C21H21BrN2O4/c1-27-16-5-3-15(4-6-16)24-10-8-23(9-11-24)13-17-19(25)7-2-14-12-18(22)21(26)28-20(14)17/h2-7,12,25H,8-11,13H2,1H3