4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-8-bromanyl-6-chloranyl-chromen-2-one

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-8-bromanyl-6-chloranyl-chromen-2-one Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]amino]-8-bromo-6-chloro-chromen-2-one CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]amino]-8-bromo-6-chloro-1-benzopyran-2-one IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-8-bromo-6-chlorochromen-2-one Traditional Name: 8-bromo-6-chloro-4-[(1-piperonyl-4-piperidyl)amino]coumarin Formula: C22H20BrClN2O4 MolecularWeight: 491.7622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=CC(=O)OC3=C(C=C(C=C23)Cl)Br)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1NC2=CC(=O)OC3=C(C=C(C=C23)Cl)Br)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20BrClN2O4/c23-17-9-14(24)8-16-18(10-21(27)30-22(16)17)25-15-3-5-26(6-4-15)11-13-1-2-19-20(7-13)29-12-28-19/h1-2,7-10,15,25H,3-6,11-12H2