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

Systemtic Name: 4-(chloromethyl)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-(chloromethyl)-N-[3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-(chloromethyl)-N-[3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-(chloromethyl)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-(chloromethyl)-N-[3-[[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(=CC(=C1)NC(=O)C2=CC=C(C=C2)CCl)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CCl)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

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