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

Systemtic Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(4-cyanobenzoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(4-cyanobenzoyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(4-cyanobenzoyl)piperazino]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C26H26ClN7O2 MolecularWeight: 503.98334

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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#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN7O2/c1-18(35)29-10-11-30-23-16-24(32-25(31-23)20-6-8-22(27)9-7-20)33-12-14-34(15-13-33)26(36)21-4-2-19(17-28)3-5-21/h2-9,16H,10-15H2,1H3,(H,29,35)(H,30,31,32)