[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=NN(C=C3OC)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=NN(C=C3OC)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O4/c1-16(22(27)25-13-12-17-8-6-7-9-18(17)14-25)30-23(28)21-20(29-2)15-26(24-21)19-10-4-3-5-11-19/h3-11,15-16H,12-14H2,1-2H3/t16-/m1/s1