N-[2-[[6-[4-(2-tert-butyl-5-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(2-tert-butyl-5-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(2-tert-butyl-5-methyl-pyrazole-3-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(2-tert-butyl-5-methyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]-2-(4-chlorophenyl)-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(2-tert-butyl-5-methyl-pyrazole-3-carbonyl)piperazino]-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]acetamide Formula: C27H35ClN8O2 MolecularWeight: 539.0722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)C4=CC=C(C=C4)Cl)NCCNC(=O)C)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC(=NC(=N3)C4=CC=C(C=C4)Cl)NCCNC(=O)C)C(C)(C)C

InChI

InChI=1S/C27H35ClN8O2/c1-18-16-22(36(33-18)27(3,4)5)26(38)35-14-12-34(13-15-35)24-17-23(30-11-10-29-19(2)37)31-25(32-24)20-6-8-21(28)9-7-20/h6-9,16-17H,10-15H2,1-5H3,(H,29,37)(H,30,31,32)