5-[2-[(2-aminophenyl)-methyl-amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-piperidin-4-yl-pyrazol-3-one

Systemtic Name: 5-[2-[(2-aminophenyl)-methyl-amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-piperidin-4-yl-pyrazol-3-one Openeye Name: 5-[2-(2-amino-N-methyl-anilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-(4-piperidyl)pyrazol-3-one CAS Name: 5-[2-(2-amino-N-methylanilino)-4-pyrimidinyl]-4-(4-fluorophenyl)-2-methyl-1-(4-piperidinyl)-3-pyrazolone IUPAC Name: 5-[2-(2-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-piperidin-4-ylpyrazol-3-one Traditional Name: 5-[2-(2-amino-N-methyl-anilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-(4-piperidyl)-3-pyrazolin-3-one Formula: C26H28FN7O MolecularWeight: 473.545223

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1C2CCNCC2)C3=NC(=NC=C3)N(C)C4=CC=CC=C4N)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=O)C(=C(N1C2CCNCC2)C3=NC(=NC=C3)N(C)C4=CC=CC=C4N)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H28FN7O/c1-32(22-6-4-3-5-20(22)28)26-30-16-13-21(31-26)24-23(17-7-9-18(27)10-8-17)25(35)33(2)34(24)19-11-14-29-15-12-19/h3-10,13,16,19,29H,11-12,14-15,28H2,1-2H3