octyl 6-(5-azanyl-3-tert-butyl-pyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: octyl 6-(5-azanyl-3-tert-butyl-pyrazol-1-yl)pyridine-3-carboxylate Openeye Name: octyl 6-(5-amino-3-tert-butyl-pyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(5-amino-3-tert-butyl-1-pyrazolyl)-3-pyridinecarboxylic acid octyl ester IUPAC Name: octyl 6-(5-amino-3-tert-butylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(5-amino-3-tert-butyl-pyrazol-1-yl)nicotinic acid octyl ester Formula: C21H32N4O2 MolecularWeight: 372.50438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CN=C(C=C1)N2C(=CC(=N2)C(C)(C)C)N

Isomeric SMILES

CCCCCCCCOC(=O)C1=CN=C(C=C1)N2C(=CC(=N2)C(C)(C)C)N

InChI

InChI=1S/C21H32N4O2/c1-5-6-7-8-9-10-13-27-20(26)16-11-12-19(23-15-16)25-18(22)14-17(24-25)21(2,3)4/h11-12,14-15H,5-10,13,22H2,1-4H3