N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(4-oxidanylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(4-oxidanylpiperazin-1-yl)methyl]benzamide Openeye Name: 4-[(4-hydroxypiperazin-1-yl)methyl]-N-[3-methyl-4-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[(4-hydroxy-1-piperazinyl)methyl]-N-[3-methyl-4-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-[(4-hydroxypiperazin-1-yl)methyl]-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[(4-hydroxypiperazino)methyl]-N-[3-methyl-4-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C28H29N7O2 MolecularWeight: 495.57556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)O)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)O)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H29N7O2/c1-20-17-24(8-9-25(20)32-28-30-12-10-26(33-28)23-3-2-11-29-18-23)31-27(36)22-6-4-21(5-7-22)19-34-13-15-35(37)16-14-34/h2-12,17-18,37H,13-16,19H2,1H3,(H,31,36)(H,30,32,33)