(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethyl-1-pyrazolyl)-4-oxobutanoate IUPAC Name: (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-4-keto-butyrate Formula: C18H20N3O3- MolecularWeight: 326.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(CC(=O)N2CCC3=CC=CC=C3C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1[C@H](CC(=O)N2CCC3=CC=CC=C3C2)C(=O)[O-])C

InChI

InChI=1S/C18H21N3O3/c1-12-9-13(2)21(19-12)16(18(23)24)10-17(22)20-8-7-14-5-3-4-6-15(14)11-20/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,23,24)/p-1/t16-/m1/s1