N-[2-[[6-[4-(2-oxidanyl-3-phenyl-propanoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(2-oxidanyl-3-phenyl-propanoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(2-hydroxy-3-phenyl-propanoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-(2-hydroxy-1-oxo-3-phenylpropyl)-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(2-hydroxy-3-phenyl-propanoyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C27H32N6O3 MolecularWeight: 488.58138

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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)O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O3/c1-20(34)28-12-13-29-24-19-25(31-26(30-24)22-10-6-3-7-11-22)32-14-16-33(17-15-32)27(36)23(35)18-21-8-4-2-5-9-21/h2-11,19,23,35H,12-18H2,1H3,(H,28,34)(H,29,30,31)