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

Systemtic Name: 5-[2-[(3-aminophenyl)methylamino]pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-piperidin-4-yl-pyrazol-3-one Openeye Name: 5-[2-[(3-aminophenyl)methylamino]pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-(4-piperidyl)pyrazol-3-one CAS Name: 5-[2-[(3-aminophenyl)methylamino]-4-pyrimidinyl]-4-(4-fluorophenyl)-2-methyl-1-(4-piperidinyl)-3-pyrazolone IUPAC Name: 5-[2-[(3-aminophenyl)methylamino]pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-piperidin-4-ylpyrazol-3-one Traditional Name: 5-[2-[(3-aminobenzyl)amino]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)NCC4=CC(=CC=C4)N)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=O)C(=C(N1C2CCNCC2)C3=NC(=NC=C3)NCC4=CC(=CC=C4)N)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H28FN7O/c1-33-25(35)23(18-5-7-19(27)8-6-18)24(34(33)21-9-12-29-13-10-21)22-11-14-30-26(32-22)31-16-17-3-2-4-20(28)15-17/h2-8,11,14-15,21,29H,9-10,12-13,16,28H2,1H3,(H,30,31,32)