N-[4-methyl-3-[[4-(5-pyridin-4-ylpyridin-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide

Systemtic Name: N-[4-methyl-3-[[4-(5-pyridin-4-ylpyridin-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide Openeye Name: N-[4-methyl-3-[[4-[5-(4-pyridyl)-3-pyridyl]pyrimidin-2-yl]amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide CAS Name: N-[4-methyl-3-[[4-(5-pyridin-4-yl-3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-(1-piperazinylmethyl)benzamide IUPAC Name: N-[4-methyl-3-[[4-(5-pyridin-4-ylpyridin-3-yl)pyrimidin-2-yl]amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide Traditional Name: N-[4-methyl-3-[[4-[5-(4-pyridyl)-3-pyridyl]pyrimidin-2-yl]amino]phenyl]-4-(piperazinomethyl)benzamide Formula: C33H32N8O MolecularWeight: 556.66018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCNCC3)NC4=NC=CC(=N4)C5=CN=CC(=C5)C6=CC=NC=C6

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCNCC3)NC4=NC=CC(=N4)C5=CN=CC(=C5)C6=CC=NC=C6

InChI

InChI=1S/C33H32N8O/c1-23-2-7-29(38-32(42)26-5-3-24(4-6-26)22-41-16-14-35-15-17-41)19-31(23)40-33-37-13-10-30(39-33)28-18-27(20-36-21-28)25-8-11-34-12-9-25/h2-13,18-21,35H,14-17,22H2,1H3,(H,38,42)(H,37,39,40)