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

Systemtic Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-6-chloranyl-1,3-benzoxazol-2-one Openeye Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-6-chloro-1,3-benzoxazol-2-one CAS Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-6-chloro-1,3-benzoxazol-2-one IUPAC Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-6-chloro-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[3-keto-3-(4-piperonylpiperazino)propyl]-1,3-benzoxazol-2-one Formula: C22H22ClN3O5 MolecularWeight: 443.88018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C5=C(C=C(C=C5)Cl)OC4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C5=C(C=C(C=C5)Cl)OC4=O

InChI

InChI=1S/C22H22ClN3O5/c23-16-2-3-17-19(12-16)31-22(28)26(17)6-5-21(27)25-9-7-24(8-10-25)13-15-1-4-18-20(11-15)30-14-29-18/h1-4,11-12H,5-10,13-14H2