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

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-methyl-5-oxidanylidene-pyrazol-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-methyl-5-oxo-pyrazol-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-methyl-5-oxo-1-pyrazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-methyl-5-oxopyrazol-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-5-keto-2-methyl-3-pyrazolin-1-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)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

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

InChI

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