[2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-butanoate

Systemtic Name: [2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-butanoate Openeye Name: [2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-oxo-ethyl] 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [2-[4-[3-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl] 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [2-[4-[3-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-keto-ethyl] ester Formula: C25H29ClN6O3 MolecularWeight: 496.98916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)N

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)N

InChI

InChI=1S/C25H29ClN6O3/c1-15(2)22(27)25(34)35-13-20(33)32-11-8-17(9-12-32)24-21(19-7-10-28-14-29-19)23(30-31-24)16-3-5-18(26)6-4-16/h3-7,10,14-15,17,22H,8-9,11-13,27H2,1-2H3,(H,30,31)