N-[2-[[6-[4-(5-methanoyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(5-methanoyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(5-formyl-2-hydroxy-benzoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(5-formyl-2-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(5-formyl-2-hydroxybenzoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(5-formyl-2-hydroxy-benzoyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C26H28N6O4 MolecularWeight: 488.53832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6O4/c1-18(34)27-9-10-28-23-16-24(30-25(29-23)20-5-3-2-4-6-20)31-11-13-32(14-12-31)26(36)21-15-19(17-33)7-8-22(21)35/h2-8,15-17,35H,9-14H2,1H3,(H,27,34)(H,28,29,30)