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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-2-methyl-5-oxidanylidene-pyrazol-3-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-2-methyl-5-oxo-pyrazol-3-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-2-methyl-5-oxo-3-pyrazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-2-methyl-5-oxopyrazol-3-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-5-keto-2-methyl-3-pyrazolin-3-yl]phenyl]propionic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC

Isomeric SMILES

CN1C(=CC(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC

InChI

InChI=1S/C21H22N4O3/c1-24-18(15-6-3-14(4-7-15)5-12-20(27)28-2)13-19(26)25(24)17-10-8-16(9-11-17)21(22)23/h3-4,6-11,13H,5,12H2,1-2H3,(H3,22,23)