methyl 2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butanoate

Systemtic Name: methyl 2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butanoate Openeye Name: methyl 2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butanoate CAS Name: 2-[3-[3-(5-pyrimidinyl)phenyl]-1-pyrazolyl]butanoic acid methyl ester IUPAC Name: methyl 2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butanoate Traditional Name: 2-[3-[3-(5-pyrimidyl)phenyl]pyrazol-1-yl]butyric acid methyl ester Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)N1C=CC(=N1)C2=CC=CC(=C2)C3=CN=CN=C3

Isomeric SMILES

CCC(C(=O)OC)N1C=CC(=N1)C2=CC=CC(=C2)C3=CN=CN=C3

InChI

InChI=1S/C18H18N4O2/c1-3-17(18(23)24-2)22-8-7-16(21-22)14-6-4-5-13(9-14)15-10-19-12-20-11-15/h4-12,17H,3H2,1-2H3