3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-chloranyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-chloranyl-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-6-chloro-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-6-chloro-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-6-chloro-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[2-keto-2-(4-piperonylpiperazino)ethyl]-1,3-benzoxazol-2-one Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C5=C(C=C(C=C5)Cl)OC4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C5=C(C=C(C=C5)Cl)OC4=O

InChI

InChI=1S/C21H20ClN3O5/c22-15-2-3-16-18(10-15)30-21(27)25(16)12-20(26)24-7-5-23(6-8-24)11-14-1-4-17-19(9-14)29-13-28-17/h1-4,9-10H,5-8,11-13H2