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

Systemtic Name: N-[2-[[6-[4-(4-ethenylphenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-phenyl-6-[4-(4-vinylbenzoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(4-ethenylphenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(4-ethenylbenzoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-phenyl-6-[4-(4-vinylbenzoyl)piperazino]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C27H30N6O2 MolecularWeight: 470.5661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O2/c1-3-21-9-11-23(12-10-21)27(35)33-17-15-32(16-18-33)25-19-24(29-14-13-28-20(2)34)30-26(31-25)22-7-5-4-6-8-22/h3-12,19H,1,13-18H2,2H3,(H,28,34)(H,29,30,31)