N-[4-[4-[2-[[3-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1H-pyrazol-5-yl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[4-[2-[[3-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1H-pyrazol-5-yl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1H-pyrazol-5-yl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[4-[2-[3-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]-1H-pyrazol-5-yl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1H-pyrazol-5-yl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[4-[2-[3-(4-methylpiperazino)anilino]pyrimidin-4-yl]-1H-pyrazol-5-yl]phenyl]cyclopropanecarboxamide Formula: C28H30N8O MolecularWeight: 494.5908

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=CC=C2)NC3=NC=CC(=N3)C4=C(NN=C4)C5=CC=C(C=C5)NC(=O)C6CC6

Isomeric SMILES

CN1CCN(CC1)C2=CC(=CC=C2)NC3=NC=CC(=N3)C4=C(NN=C4)C5=CC=C(C=C5)NC(=O)C6CC6

InChI

InChI=1S/C28H30N8O/c1-35-13-15-36(16-14-35)23-4-2-3-22(17-23)32-28-29-12-11-25(33-28)24-18-30-34-26(24)19-7-9-21(10-8-19)31-27(37)20-5-6-20/h2-4,7-12,17-18,20H,5-6,13-16H2,1H3,(H,30,34)(H,31,37)(H,29,32,33)