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

Systemtic Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-2-phenyl-pyrazol-3-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-2-phenyl-pyrazol-3-yl]phenyl]propanoate CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-2-phenyl-3-pyrazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-2-phenylpyrazol-3-yl]phenyl]propanoate Traditional Name: 3-[4-[5-(4-amidinophenyl)-2-phenyl-pyrazol-3-yl]phenyl]propionic acid methyl ester Formula: C26H24N4O2 MolecularWeight: 424.49436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H24N4O2/c1-32-25(31)16-9-18-7-10-20(11-8-18)24-17-23(19-12-14-21(15-13-19)26(27)28)29-30(24)22-5-3-2-4-6-22/h2-8,10-15,17H,9,16H2,1H3,(H3,27,28)