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

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(4-propylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-[(4-propylpiperazin-1-yl)methyl]benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[(4-propyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(4-propylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-[(4-propylpiperazino)methyl]benzamide Formula: C31H35N7O MolecularWeight: 521.6559

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CCCN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C31H35N7O/c1-3-15-37-16-18-38(19-17-37)22-24-7-9-25(10-8-24)30(39)34-27-11-6-23(2)29(20-27)36-31-33-14-12-28(35-31)26-5-4-13-32-21-26/h4-14,20-21H,3,15-19,22H2,1-2H3,(H,34,39)(H,33,35,36)