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

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(3-oxidanylidenepiperazin-1-yl)methyl]benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[(3-oxo-1-piperazinyl)methyl]benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide Traditional Name: 4-[(3-ketopiperazino)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C28H27N7O2 MolecularWeight: 493.55968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCNC(=O)C3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCNC(=O)C3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H27N7O2/c1-19-4-9-23(15-25(19)34-28-31-12-10-24(33-28)22-3-2-11-29-16-22)32-27(37)21-7-5-20(6-8-21)17-35-14-13-30-26(36)18-35/h2-12,15-16H,13-14,17-18H2,1H3,(H,30,36)(H,32,37)(H,31,33,34)