4-[1,3-benzodioxol-5-ylmethyl(piperidin-4-yl)amino]-6,7-bis(chloranyl)chromen-2-one

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl(piperidin-4-yl)amino]-6,7-bis(chloranyl)chromen-2-one Openeye Name: 4-[1,3-benzodioxol-5-ylmethyl(4-piperidyl)amino]-6,7-dichloro-chromen-2-one CAS Name: 4-[1,3-benzodioxol-5-ylmethyl(4-piperidinyl)amino]-6,7-dichloro-1-benzopyran-2-one IUPAC Name: 4-[1,3-benzodioxol-5-ylmethyl(piperidin-4-yl)amino]-6,7-dichlorochromen-2-one Traditional Name: 6,7-dichloro-4-[4-piperidyl(piperonyl)amino]coumarin Formula: C22H20Cl2N2O4 MolecularWeight: 447.3112

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC2=CC3=C(C=C2)OCO3)C4=CC(=O)OC5=CC(=C(C=C45)Cl)Cl

Isomeric SMILES

C1CNCCC1N(CC2=CC3=C(C=C2)OCO3)C4=CC(=O)OC5=CC(=C(C=C45)Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O4/c23-16-8-15-18(10-22(27)30-20(15)9-17(16)24)26(14-3-5-25-6-4-14)11-13-1-2-19-21(7-13)29-12-28-19/h1-2,7-10,14,25H,3-6,11-12H2