4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxo-butanoic acid CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethyl-1-pyrazolyl)-4-oxobutanoic acid IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-4-oxobutanoic acid Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-4-keto-butyric acid Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(CC(=O)N2CCC3=CC=CC=C3C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C(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)