3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6-bromanyl-chromen-2-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6-bromanyl-chromen-2-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-bromo-chromen-2-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-6-bromo-1-benzopyran-2-one IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-bromochromen-2-one Traditional Name: 6-bromo-3-(4-piperonylpiperazine-1-carbonyl)coumarin Formula: C22H19BrN2O5 MolecularWeight: 471.30066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=CC(=C5)Br)OC4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=CC(=C5)Br)OC4=O

InChI

InChI=1S/C22H19BrN2O5/c23-16-2-4-18-15(10-16)11-17(22(27)30-18)21(26)25-7-5-24(6-8-25)12-14-1-3-19-20(9-14)29-13-28-19/h1-4,9-11H,5-8,12-13H2