4-[[4-[(3-bromophenyl)methyl]piperazin-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-[(3-bromophenyl)methyl]piperazin-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-[(3-bromophenyl)methyl]piperazin-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-[(3-bromophenyl)methyl]-1-piperazinyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(3-bromophenyl)methyl]piperazin-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(3-bromobenzyl)piperazino]methyl]-7-methyl-coumarin Formula: C22H23BrN2O2 MolecularWeight: 427.33422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H23BrN2O2/c1-16-5-6-20-18(13-22(26)27-21(20)11-16)15-25-9-7-24(8-10-25)14-17-3-2-4-19(23)12-17/h2-6,11-13H,7-10,14-15H2,1H3