3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-(5-nitro-1-benzothiophen-3-yl)propan-1-one

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-(5-nitro-1-benzothiophen-3-yl)propan-1-one Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-(5-nitrobenzothiophen-3-yl)propan-1-one CAS Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]-1-(5-nitro-1-benzothiophen-3-yl)-1-propanone IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-(5-nitro-1-benzothiophen-3-yl)propan-1-one Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]-1-(5-nitrobenzothiophen-3-yl)propan-1-one Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CSC3=C2C=C(C=C3)[N+](=O)[O-])C4=C5C(=CC=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CSC3=C2C=C(C=C3)[N+](=O)[O-])C4=C5C(=CC=C4)OCCO5

InChI

InChI=1S/C23H23N3O5S/c27-20(18-15-32-22-5-4-16(26(28)29)14-17(18)22)6-7-24-8-10-25(11-9-24)19-2-1-3-21-23(19)31-13-12-30-21/h1-5,14-15H,6-13H2