butyl 1-isoquinolin-5-yl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: butyl 1-isoquinolin-5-yl-3-methyl-pyrazole-4-carboxylate Openeye Name: butyl 1-(5-isoquinolyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 1-(5-isoquinolinyl)-3-methyl-4-pyrazolecarboxylic acid butyl ester IUPAC Name: butyl 1-isoquinolin-5-yl-3-methylpyrazole-4-carboxylate Traditional Name: 1-(5-isoquinolyl)-3-methyl-pyrazole-4-carboxylic acid butyl ester Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CN(N=C1C)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCOC(=O)C1=CN(N=C1C)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H19N3O2/c1-3-4-10-23-18(22)16-12-21(20-13(16)2)17-7-5-6-14-11-19-9-8-15(14)17/h5-9,11-12H,3-4,10H2,1-2H3