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

Systemtic Name: N-[2-[[6-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(3-cyanobenzoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(3-cyanophenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(3-cyanobenzoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(3-cyanobenzoyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C26H27N7O2 MolecularWeight: 469.53828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N7O2/c1-19(34)28-10-11-29-23-17-24(31-25(30-23)21-7-3-2-4-8-21)32-12-14-33(15-13-32)26(35)22-9-5-6-20(16-22)18-27/h2-9,16-17H,10-15H2,1H3,(H,28,34)(H,29,30,31)