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

Systemtic Name: 5-[2-[(3-aminophenyl)-methyl-amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-piperidin-4-yl-pyrazol-3-one Openeye Name: 5-[2-(3-amino-N-methyl-anilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-(4-piperidyl)pyrazol-3-one CAS Name: 5-[2-(3-amino-N-methylanilino)-4-pyrimidinyl]-4-(4-fluorophenyl)-2-methyl-1-(4-piperidinyl)-3-pyrazolone IUPAC Name: 5-[2-(3-amino-N-methylanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-piperidin-4-ylpyrazol-3-one Traditional Name: 5-[2-(3-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(=C4)N)C5=CC=C(C=C5)F

Isomeric SMILES

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

InChI

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