[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[3-(2-pyrimidinylamino)phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Traditional Name: (4-piperonylpiperazino)-[3-(2-pyrimidylamino)phenyl]methanone Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)NC5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)NC5=NC=CC=N5

InChI

InChI=1S/C23H23N5O3/c29-22(18-3-1-4-19(14-18)26-23-24-7-2-8-25-23)28-11-9-27(10-12-28)15-17-5-6-20-21(13-17)31-16-30-20/h1-8,13-14H,9-12,15-16H2,(H,24,25,26)