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

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloranyl-chromen-2-one Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]amino]-6-chloro-chromen-2-one CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]amino]-6-chloro-1-benzopyran-2-one IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chlorochromen-2-one Traditional Name: 6-chloro-4-[(1-piperonyl-4-piperidyl)amino]coumarin Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=CC(=O)OC3=C2C=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1NC2=CC(=O)OC3=C2C=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21ClN2O4/c23-15-2-4-19-17(10-15)18(11-22(26)29-19)24-16-5-7-25(8-6-16)12-14-1-3-20-21(9-14)28-13-27-20/h1-4,9-11,16,24H,5-8,12-13H2