3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-yl-propan-1-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-yl-propan-1-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-yl-propan-1-one CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(10-phenothiazinyl)-1-propanone IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-ylpropan-1-one Traditional Name: 1-phenothiazin-10-yl-3-(4-piperonylpiperazino)propan-1-one Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1CCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H27N3O3S/c31-27(30-21-5-1-3-7-25(21)34-26-8-4-2-6-22(26)30)11-12-28-13-15-29(16-14-28)18-20-9-10-23-24(17-20)33-19-32-23/h1-10,17H,11-16,18-19H2