[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 1-benzyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-pyridyl)pyrazole-4-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3/c1-20(27(33)31-15-13-22-10-5-6-11-24(22)18-31)35-28(34)25-19-32(17-21-8-3-2-4-9-21)30-26(25)23-12-7-14-29-16-23/h2-12,14,16,19-20H,13,15,17-18H2,1H3