methyl 3-(4-carbamimidoylphenyl)-5-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 3-(4-carbamimidoylphenyl)-5-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-1H-pyrazole-4-carboxylate Openeye Name: methyl 3-(4-carbamimidoylphenyl)-5-[4-(3-methoxy-3-oxo-propyl)phenyl]-1H-pyrazole-4-carboxylate CAS Name: 3-(4-carbamimidoylphenyl)-5-[4-(3-methoxy-3-oxopropyl)phenyl]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-carbamimidoylphenyl)-5-[4-(3-methoxy-3-oxopropyl)phenyl]-1H-pyrazole-4-carboxylate Traditional Name: 3-(4-amidinophenyl)-5-[4-(3-keto-3-methoxy-propyl)phenyl]-1H-pyrazole-4-carboxylic acid methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=C(C(=NN2)C3=CC=C(C=C3)C(=N)N)C(=O)OC

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=C(C(=NN2)C3=CC=C(C=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C22H22N4O4/c1-29-17(27)12-5-13-3-6-14(7-4-13)19-18(22(28)30-2)20(26-25-19)15-8-10-16(11-9-15)21(23)24/h3-4,6-11H,5,12H2,1-2H3,(H3,23,24)(H,25,26)