N-[(2-fluorophenyl)methyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: N-[(2-fluorophenyl)methyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide CAS Name: N-[(2-fluorophenyl)methyl]-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-[(2-fluorophenyl)methyl]-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: N-(2-fluorobenzyl)-3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzamide Formula: C28H27FN6O MolecularWeight: 482.551983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC=CC(=N3)NC4=CC=CC(=C4)C(=O)NCC5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC=CC(=N3)NC4=CC=CC(=C4)C(=O)NCC5=CC=CC=C5F

InChI

InChI=1S/C28H27FN6O/c29-25-12-5-4-7-22(25)20-31-27(36)21-8-6-9-23(19-21)32-26-13-14-30-28(33-26)35-17-15-34(16-18-35)24-10-2-1-3-11-24/h1-14,19H,15-18,20H2,(H,31,36)(H,30,32,33)