1-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)N3C=CC(=N3)C(=O)O

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)N3C=CC(=N3)C(=O)O

InChI

InChI=1S/C16H17N3O3/c1-11(19-9-7-14(17-19)16(21)22)15(20)18-8-6-12-4-2-3-5-13(12)10-18/h2-5,7,9,11H,6,8,10H2,1H3,(H,21,22)/t11-/m1/s1