ethyl 3-phenyl-2-[[4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethanoylamino]piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-phenyl-2-[[4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethanoylamino]piperidin-4-yl]carbonylamino]propanoate Openeye Name: ethyl 3-phenyl-2-[[4-[[2-[3-(2-pyridyl)pyrazol-1-yl]acetyl]amino]piperidine-4-carbonyl]amino]propanoate CAS Name: 2-[[oxo-[4-[[1-oxo-2-[3-(2-pyridinyl)-1-pyrazolyl]ethyl]amino]-4-piperidinyl]methyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-phenyl-2-[[4-[[2-(3-pyridin-2-ylpyrazol-1-yl)acetyl]amino]piperidine-4-carbonyl]amino]propanoate Traditional Name: 3-phenyl-2-[[4-[[2-[3-(2-pyridyl)pyrazol-1-yl]acetyl]amino]isonipecotoyl]amino]propionic acid ethyl ester Formula: C27H32N6O4 MolecularWeight: 504.58078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)CN3C=CC(=N3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)CN3C=CC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C27H32N6O4/c1-2-37-25(35)23(18-20-8-4-3-5-9-20)30-26(36)27(12-15-28-16-13-27)31-24(34)19-33-17-11-22(32-33)21-10-6-7-14-29-21/h3-11,14,17,23,28H,2,12-13,15-16,18-19H2,1H3,(H,30,36)(H,31,34)