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

Systemtic Name: methyl 2-azanyl-3-[4-[5-(4-carbamimidoylphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]phenyl]propanoate Openeye Name: methyl 2-amino-3-[4-[5-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-2-yl]phenyl]propanoate CAS Name: 2-amino-3-[4-[5-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-2-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-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]-2-amino-propionic acid methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)N2C(=O)C=C(N2)C3=CC=C(C=C3)C(=N)N)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)N2C(=O)C=C(N2)C3=CC=C(C=C3)C(=N)N)N

InChI

InChI=1S/C20H21N5O3/c1-28-20(27)16(21)10-12-2-8-15(9-3-12)25-18(26)11-17(24-25)13-4-6-14(7-5-13)19(22)23/h2-9,11,16,24H,10,21H2,1H3,(H3,22,23)