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

Systemtic Name: N-[4-[4-[2-[[3-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1H-pyrazol-5-yl]phenyl]benzamide Openeye Name: N-[4-[4-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1H-pyrazol-5-yl]phenyl]benzamide CAS Name: N-[4-[4-[2-[3-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]-1H-pyrazol-5-yl]phenyl]benzamide IUPAC Name: N-[4-[4-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1H-pyrazol-5-yl]phenyl]benzamide Traditional Name: N-[4-[4-[2-[3-(4-methylpiperazino)anilino]pyrimidin-4-yl]-1H-pyrazol-5-yl]phenyl]benzamide Formula: C31H30N8O MolecularWeight: 530.6229

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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)C6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)C2=CC(=CC=C2)NC3=NC=CC(=N3)C4=C(NN=C4)C5=CC=C(C=C5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H30N8O/c1-38-16-18-39(19-17-38)26-9-5-8-25(20-26)35-31-32-15-14-28(36-31)27-21-33-37-29(27)22-10-12-24(13-11-22)34-30(40)23-6-3-2-4-7-23/h2-15,20-21H,16-19H2,1H3,(H,33,37)(H,34,40)(H,32,35,36)