ethyl 3-[3-[3-tert-butyl-5-(isoquinolin-3-ylcarbonylamino)pyrazol-1-yl]phenyl]propanoate

Systemtic Name: ethyl 3-[3-[3-tert-butyl-5-(isoquinolin-3-ylcarbonylamino)pyrazol-1-yl]phenyl]propanoate Openeye Name: ethyl 3-[3-[3-tert-butyl-5-(isoquinoline-3-carbonylamino)pyrazol-1-yl]phenyl]propanoate CAS Name: 3-[3-[3-tert-butyl-5-[[3-isoquinolinyl(oxo)methyl]amino]-1-pyrazolyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[3-tert-butyl-5-(isoquinoline-3-carbonylamino)pyrazol-1-yl]phenyl]propanoate Traditional Name: 3-[3-[3-tert-butyl-5-(isoquinoline-3-carbonylamino)pyrazol-1-yl]phenyl]propionic acid ethyl ester Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C28H30N4O3/c1-5-35-26(33)14-13-19-9-8-12-22(15-19)32-25(17-24(31-32)28(2,3)4)30-27(34)23-16-20-10-6-7-11-21(20)18-29-23/h6-12,15-18H,5,13-14H2,1-4H3,(H,30,34)