4-(chloromethyl)-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 4-(chloromethyl)-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-(chloromethyl)-N-[4-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-(chloromethyl)-N-[4-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-(chloromethyl)-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-(chloromethyl)-N-[4-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C23H18ClN5O MolecularWeight: 415.87492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)CCl

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)CCl

InChI

InChI=1S/C23H18ClN5O/c24-14-16-3-5-17(6-4-16)22(30)27-19-7-9-20(10-8-19)28-23-26-13-11-21(29-23)18-2-1-12-25-15-18/h1-13,15H,14H2,(H,27,30)(H,26,28,29)