N-[2-[[2-(4-chlorophenyl)-6-[4-(3-methoxy-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(3-methoxy-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(2-hydroxy-3-methoxy-benzoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[(2-hydroxy-3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(2-hydroxy-3-methoxybenzoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(2-hydroxy-3-methoxy-benzoyl)piperazino]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C26H29ClN6O4 MolecularWeight: 524.99926

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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)OC)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN6O4/c1-17(34)28-10-11-29-22-16-23(31-25(30-22)18-6-8-19(27)9-7-18)32-12-14-33(15-13-32)26(36)20-4-3-5-21(37-2)24(20)35/h3-9,16,35H,10-15H2,1-2H3,(H,28,34)(H,29,30,31)