dimethyl (E)-2-(1-pyrazol-1-yl-1H-isoquinolin-2-yl)but-2-enedioate

Systemtic Name: dimethyl (E)-2-(1-pyrazol-1-yl-1H-isoquinolin-2-yl)but-2-enedioate Openeye Name: dimethyl (E)-2-(1-pyrazol-1-yl-1H-isoquinolin-2-yl)but-2-enedioate CAS Name: (E)-2-[1-(1-pyrazolyl)-1H-isoquinolin-2-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(1-pyrazol-1-yl-1H-isoquinolin-2-yl)but-2-enedioate Traditional Name: (E)-2-(1-pyrazol-1-yl-1H-isoquinolin-2-yl)but-2-enedioic acid dimethyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)N1C=CC2=CC=CC=C2C1N3C=CC=N3

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/N1C=CC2=CC=CC=C2C1N3C=CC=N3

InChI

InChI=1S/C18H17N3O4/c1-24-16(22)12-15(18(23)25-2)20-11-8-13-6-3-4-7-14(13)17(20)21-10-5-9-19-21/h3-12,17H,1-2H3/b15-12+