2-[4-[[(2S)-6-chloranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[[(2S)-6-chloranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[[(2S)-6-chloro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[[(2S)-6-chloro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[[(2S)-6-chloro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[[(2S)-6-chloro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]piperazino]pyrimidine Formula: C23H23ClN4O2 MolecularWeight: 422.90732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC(=C2)Cl)COC(O3)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC(=C2)Cl)CO[C@@H](O3)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C23H23ClN4O2/c24-20-13-18(15-27-9-11-28(12-10-27)23-25-7-4-8-26-23)21-19(14-20)16-29-22(30-21)17-5-2-1-3-6-17/h1-8,13-14,22H,9-12,15-16H2/t22-/m0/s1