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

Systemtic Name: 3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-[4-(diphenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-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-(diphenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propan-1-one Traditional Name: 1-(4-benzhydrylpiperazino)-3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propan-1-one Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC4COC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC[C@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C28H30N2O3/c31-27(16-15-24-21-32-25-13-7-8-14-26(25)33-24)29-17-19-30(20-18-29)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,24,28H,15-21H2/t24-/m0/s1