4-[2-[(3-fluorophenyl)amino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one

Systemtic Name: 4-[2-[(3-fluorophenyl)amino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one Openeye Name: 4-[2-(3-fluoroanilino)pyrimidin-4-yl]-3-phenyl-piperazin-2-one CAS Name: 4-[2-(3-fluoroanilino)-4-pyrimidinyl]-3-phenyl-2-piperazinone IUPAC Name: 4-[2-(3-fluoroanilino)pyrimidin-4-yl]-3-phenylpiperazin-2-one Traditional Name: 4-[2-(3-fluoroanilino)pyrimidin-4-yl]-3-phenyl-piperazin-2-one Formula: C20H18FN5O MolecularWeight: 363.388223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)F

Isomeric SMILES

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)F

InChI

InChI=1S/C20H18FN5O/c21-15-7-4-8-16(13-15)24-20-23-10-9-17(25-20)26-12-11-22-19(27)18(26)14-5-2-1-3-6-14/h1-10,13,18H,11-12H2,(H,22,27)(H,23,24,25)