4-[[4-(4-bromophenyl)carbonylpiperazin-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-(4-bromophenyl)carbonylpiperazin-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(4-bromobenzoyl)piperazin-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-bromobenzoyl)piperazin-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(4-bromobenzoyl)piperazino]methyl]-7-methyl-coumarin Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN2O3/c1-15-2-7-19-17(13-21(26)28-20(19)12-15)14-24-8-10-25(11-9-24)22(27)16-3-5-18(23)6-4-16/h2-7,12-13H,8-11,14H2,1H3