1,2-diethyl-4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]pyrazol-3-one

Systemtic Name: 1,2-diethyl-4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]pyrazol-3-one Openeye Name: 1,2-diethyl-4-(4-fluorophenyl)-5-[2-[(2-methoxy-1-methyl-ethyl)amino]pyrimidin-4-yl]pyrazol-3-one CAS Name: 1,2-diethyl-4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)-4-pyrimidinyl]-3-pyrazolone IUPAC Name: 1,2-diethyl-4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]pyrazol-3-one Traditional Name: 1,2-diethyl-4-(4-fluorophenyl)-5-[2-[(2-methoxy-1-methyl-ethyl)amino]pyrimidin-4-yl]-3-pyrazolin-3-one Formula: C21H26FN5O2 MolecularWeight: 399.461843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N1CC)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NC(C)COC

Isomeric SMILES

CCN1C(=C(C(=O)N1CC)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NC(C)COC

InChI

InChI=1S/C21H26FN5O2/c1-5-26-19(17-11-12-23-21(25-17)24-14(3)13-29-4)18(20(28)27(26)6-2)15-7-9-16(22)10-8-15/h7-12,14H,5-6,13H2,1-4H3,(H,23,24,25)