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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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