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

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-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-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C27H24N4O3 MolecularWeight: 452.50446

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O3/c1-19(26(32)30-15-13-20-8-5-6-9-22(20)17-30)34-27(33)24-18-31(23-11-3-2-4-12-23)29-25(24)21-10-7-14-28-16-21/h2-12,14,16,18-19H,13,15,17H2,1H3