N-[2-[[6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2-(4-chlorophenyl)-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-(4-chlorophenyl)-6-(4-piperonyloylpiperazino)pyrimidin-4-yl]amino]ethyl]acetamide Formula: C26H27ClN6O4 MolecularWeight: 522.98338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H27ClN6O4/c1-17(34)28-8-9-29-23-15-24(31-25(30-23)18-2-5-20(27)6-3-18)32-10-12-33(13-11-32)26(35)19-4-7-21-22(14-19)37-16-36-21/h2-7,14-15H,8-13,16H2,1H3,(H,28,34)(H,29,30,31)