methyl 4-[(E)-3-oxidanylidene-3-[(6-pyrazol-1-ylpyridin-3-yl)methylamino]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[(6-pyrazol-1-ylpyridin-3-yl)methylamino]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-[(6-pyrazol-1-yl-3-pyridyl)methylamino]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[[6-(1-pyrazolyl)-3-pyridinyl]methylamino]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[(6-pyrazol-1-ylpyridin-3-yl)methylamino]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[(6-pyrazol-1-yl-3-pyridyl)methylamino]prop-1-enyl]benzoic acid methyl ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NCC2=CN=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NCC2=CN=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H18N4O3/c1-27-20(26)17-7-3-15(4-8-17)6-10-19(25)22-14-16-5-9-18(21-13-16)24-12-2-11-23-24/h2-13H,14H2,1H3,(H,22,25)/b10-6+