7-bromanyl-4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-bromo-4-[[4-(o-tolylmethyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-bromo-4-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-bromo-4-[[4-(2-methylbenzyl)piperazino]methyl]coumarin Formula: C22H23BrN2O2 MolecularWeight: 427.33422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

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