ethyl 3-[3-phenyl-1-[[3-(pyridin-2-ylcarbamoyl)phenyl]methyl]pyrazol-4-yl]propanoate

Systemtic Name: ethyl 3-[3-phenyl-1-[[3-(pyridin-2-ylcarbamoyl)phenyl]methyl]pyrazol-4-yl]propanoate Openeye Name: ethyl 3-[3-phenyl-1-[[3-(2-pyridylcarbamoyl)phenyl]methyl]pyrazol-4-yl]propanoate CAS Name: 3-[1-[[3-[oxo-(2-pyridinylamino)methyl]phenyl]methyl]-3-phenyl-4-pyrazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-phenyl-1-[[3-(pyridin-2-ylcarbamoyl)phenyl]methyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3-phenyl-1-[3-(2-pyridylcarbamoyl)benzyl]pyrazol-4-yl]propionic acid ethyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)NC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)CCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC(=C3)C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C27H26N4O3/c1-2-34-25(32)15-14-23-19-31(30-26(23)21-10-4-3-5-11-21)18-20-9-8-12-22(17-20)27(33)29-24-13-6-7-16-28-24/h3-13,16-17,19H,2,14-15,18H2,1H3,(H,28,29,33)