2-[2-(5-tert-butyl-2-ethyl-pyrazol-3-yl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[2-(5-tert-butyl-2-ethyl-pyrazol-3-yl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[2-(5-tert-butyl-2-ethyl-pyrazole-3-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[2-[(5-tert-butyl-2-ethyl-3-pyrazolyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[2-(5-tert-butyl-2-ethylpyrazole-3-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[2-(5-tert-butyl-2-ethyl-pyrazole-3-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(C)(C)C)C(=O)N2CCC3=CC(=C(C=C3C2CC#N)OC)OC

Isomeric SMILES

CCN1C(=CC(=N1)C(C)(C)C)C(=O)N2CCC3=CC(=C(C=C3C2CC#N)OC)OC

InChI

InChI=1S/C23H30N4O3/c1-7-27-18(14-21(25-27)23(2,3)4)22(28)26-11-9-15-12-19(29-5)20(30-6)13-16(15)17(26)8-10-24/h12-14,17H,7-9,11H2,1-6H3