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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-pyrrol-1-yl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-pyrrol-1-yl-propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(3-fluorophenyl)-3-(1-pyrrolyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-pyrrol-1-ylpropan-1-one Traditional Name: 3-(3-fluorophenyl)-1-(4-piperonylpiperazino)-3-pyrrol-1-yl-propan-1-one Formula: C25H26FN3O3 MolecularWeight: 435.490643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC(C4=CC(=CC=C4)F)N5C=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC(C4=CC(=CC=C4)F)N5C=CC=C5

InChI

InChI=1S/C25H26FN3O3/c26-21-5-3-4-20(15-21)22(28-8-1-2-9-28)16-25(30)29-12-10-27(11-13-29)17-19-6-7-23-24(14-19)32-18-31-23/h1-9,14-15,22H,10-13,16-18H2