methyl 2-(5-tert-butyl-2-ethyl-pyrazol-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-(5-tert-butyl-2-ethyl-pyrazol-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-(5-tert-butyl-2-ethyl-pyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[(5-tert-butyl-2-ethyl-3-pyrazolyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(5-tert-butyl-2-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-(5-tert-butyl-2-ethyl-pyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(C)(C)C)C(=O)N2CCC3=C(C2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C(=CC(=N1)C(C)(C)C)C(=O)N2CCC3=C(C2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H27N3O3/c1-6-24-17(12-18(22-24)21(2,3)4)19(25)23-10-9-14-7-8-15(20(26)27-5)11-16(14)13-23/h7-8,11-12H,6,9-10,13H2,1-5H3