(1-phenylpyrazol-4-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H15N3O3/c24-19-17-9-5-4-6-15(17)10-18(22-19)20(25)26-13-14-11-21-23(12-14)16-7-2-1-3-8-16/h1-12H,13H2,(H,22,24)