N-[2-[[6-[4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl]piperazin-1-yl]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoyl]piperazin-1-yl]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[2-(1,3-dioxoisoindolin-2-yl)propanoyl]piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[2-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]-1-piperazinyl]-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[2-(1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(2-phthalimidopropanoyl)piperazino]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C29H30ClN7O4 MolecularWeight: 576.046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC(=NC(=N2)C3=CC=C(C=C3)Cl)NCCNC(=O)C)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC(=NC(=N2)C3=CC=C(C=C3)Cl)NCCNC(=O)C)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H30ClN7O4/c1-18(37-28(40)22-5-3-4-6-23(22)29(37)41)27(39)36-15-13-35(14-16-36)25-17-24(32-12-11-31-19(2)38)33-26(34-25)20-7-9-21(30)10-8-20/h3-10,17-18H,11-16H2,1-2H3,(H,31,38)(H,32,33,34)