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

Systemtic Name: 7-bromanyl-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazin-1-yl)methyl]-7-bromo-chromen-2-one CAS Name: 7-bromo-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazin-1-yl)methyl]-7-bromochromen-2-one Traditional Name: 4-[(4-benzylpiperazino)methyl]-7-bromo-coumarin Formula: C21H21BrN2O2 MolecularWeight: 413.30764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H21BrN2O2/c22-18-6-7-19-17(12-21(25)26-20(19)13-18)15-24-10-8-23(9-11-24)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2