ethyl 2-[[4-[[1-(4-chlorophenyl)-5-propyl-pyrazol-4-yl]carbonylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-[[1-(4-chlorophenyl)-5-propyl-pyrazol-4-yl]carbonylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-[[1-(4-chlorophenyl)-5-propyl-pyrazole-4-carbonyl]amino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[[1-(4-chlorophenyl)-5-propyl-4-pyrazolyl]-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[[1-(4-chlorophenyl)-5-propylpyrazole-4-carbonyl]amino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[[1-(4-chlorophenyl)-5-propyl-pyrazole-4-carbonyl]amino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C30H36ClN5O4 MolecularWeight: 566.09094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3(CCNCC3)C(=O)NC(CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3(CCNCC3)C(=O)NC(CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C30H36ClN5O4/c1-3-8-26-24(20-33-36(26)23-13-11-22(31)12-14-23)27(37)35-30(15-17-32-18-16-30)29(39)34-25(28(38)40-4-2)19-21-9-6-5-7-10-21/h5-7,9-14,20,25,32H,3-4,8,15-19H2,1-2H3,(H,34,39)(H,35,37)