7-bromanyl-4-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-bromo-4-[[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-bromo-4-[[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-bromo-4-[[4-(2-keto-2-piperidino-ethyl)piperazino]methyl]coumarin Formula: C21H26BrN3O3 MolecularWeight: 448.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H26BrN3O3/c22-17-4-5-18-16(12-21(27)28-19(18)13-17)14-23-8-10-24(11-9-23)15-20(26)25-6-2-1-3-7-25/h4-5,12-13H,1-3,6-11,14-15H2