4-tert-butyl-N-[3-[2-[[4-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[2-[[4-(4-ethylpiperazin-1-yl)carbonylphenyl]amino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[2-[4-[(4-ethyl-1-piperazinyl)-oxomethyl]anilino]-4-pyrimidinyl]-2-methylphenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]-2-methylphenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[2-[4-(4-ethylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide Formula: C35H40N6O2 MolecularWeight: 576.7311

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=C(C(=CC=C4)NC(=O)C5=CC=C(C=C5)C(C)(C)C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=C(C(=CC=C4)NC(=O)C5=CC=C(C=C5)C(C)(C)C)C

InChI

InChI=1S/C35H40N6O2/c1-6-40-20-22-41(23-21-40)33(43)26-12-16-28(17-13-26)37-34-36-19-18-31(39-34)29-8-7-9-30(24(29)2)38-32(42)25-10-14-27(15-11-25)35(3,4)5/h7-19H,6,20-23H2,1-5H3,(H,38,42)(H,36,37,39)