[2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanylidene-ethyl] 2-(dimethylamino)ethanoate

Systemtic Name: [2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanylidene-ethyl] 2-(dimethylamino)ethanoate Openeye Name: [2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-oxo-ethyl] 2-(dimethylamino)acetate CAS Name: 2-(dimethylamino)acetic 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-(dimethylamino)acetate Traditional Name: 2-(dimethylamino)acetic acid [2-[4-[3-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-keto-ethyl] ester Formula: C24H27ClN6O3 MolecularWeight: 482.96258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN6O3/c1-30(2)13-21(33)34-14-20(32)31-11-8-17(9-12-31)24-22(19-7-10-26-15-27-19)23(28-29-24)16-3-5-18(25)6-4-16/h3-7,10,15,17H,8-9,11-14H2,1-2H3,(H,28,29)