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

Systemtic Name: 4-[[1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]amino]-6-chloranyl-chromen-2-one Openeye Name: 4-[[1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-piperidyl]amino]-6-chloro-chromen-2-one CAS Name: 4-[[1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-piperidinyl]amino]-6-chloro-1-benzopyran-2-one IUPAC Name: 4-[[1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]amino]-6-chlorochromen-2-one Traditional Name: 6-chloro-4-[(1-homopiperonyl-4-piperidyl)amino]coumarin Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=CC(=O)OC3=C2C=C(C=C3)Cl)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1NC2=CC(=O)OC3=C2C=C(C=C3)Cl)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23ClN2O4/c24-16-2-4-20-18(12-16)19(13-23(27)30-20)25-17-6-9-26(10-7-17)8-5-15-1-3-21-22(11-15)29-14-28-21/h1-4,11-13,17,25H,5-10,14H2