2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-yl-propan-1-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-yl-propan-1-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-yl-propan-1-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(10-phenothiazinyl)-1-propanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-ylpropan-1-one Traditional Name: 1-phenothiazin-10-yl-2-(4-piperonylpiperazino)propan-1-one Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H27N3O3S/c1-19(27(31)30-21-6-2-4-8-25(21)34-26-9-5-3-7-22(26)30)29-14-12-28(13-15-29)17-20-10-11-23-24(16-20)33-18-32-23/h2-11,16,19H,12-15,17-18H2,1H3