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

Systemtic Name: 4-[(4-methyl-3-oxidanylidene-piperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-[(4-methyl-3-oxo-piperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[(4-methyl-3-oxo-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-[(4-methyl-3-oxopiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[(3-keto-4-methyl-piperazino)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C29H29N7O2 MolecularWeight: 507.58626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(C(=O)C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(C(=O)C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C29H29N7O2/c1-20-5-10-24(16-26(20)34-29-31-13-11-25(33-29)23-4-3-12-30-17-23)32-28(38)22-8-6-21(7-9-22)18-36-15-14-35(2)27(37)19-36/h3-13,16-17H,14-15,18-19H2,1-2H3,(H,32,38)(H,31,33,34)