3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propan-1-one CAS Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propan-1-one Formula: C22H26N2O3 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H26N2O3/c25-22(11-10-19-17-26-20-8-4-5-9-21(20)27-19)24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-9,19H,10-17H2/t19-/m0/s1