methyl 3-[4-[5-(4-carbamimidoylphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-2-yl]phenyl]propanoate CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-2-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-2-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-5-keto-3-pyrazolin-1-yl]phenyl]propionic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2C(=O)C=C(N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2C(=O)C=C(N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H20N4O3/c1-27-19(26)11-4-13-2-9-16(10-3-13)24-18(25)12-17(23-24)14-5-7-15(8-6-14)20(21)22/h2-3,5-10,12,23H,4,11H2,1H3,(H3,21,22)