N-[2-[[2-(4-chlorophenyl)-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(1-oxo-3-phenylprop-2-ynyl)-1-piperazinyl]-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(3-phenylpropioloyl)piperazino]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C27H27ClN6O2 MolecularWeight: 502.99528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C#CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C#CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H27ClN6O2/c1-20(35)29-13-14-30-24-19-25(32-27(31-24)22-8-10-23(28)11-9-22)33-15-17-34(18-16-33)26(36)12-7-21-5-3-2-4-6-21/h2-6,8-11,19H,13-18H2,1H3,(H,29,35)(H,30,31,32)