5-[2-[[(4-chlorophenyl)methylamino]methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[2-[[(4-chlorophenyl)methylamino]methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-[2-[[(4-chlorophenyl)methylamino]methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-[2-[[(4-chlorophenyl)methylamino]methyl]-1-pyrrolyl]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[2-[[(4-chlorophenyl)methylamino]methyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-[2-[[(4-chlorobenzyl)amino]methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)N3C=CC=C3CNCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)N3C=CC=C3CNCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O2/c23-17-10-8-16(9-11-17)13-24-14-19-7-4-12-26(19)21-20(22(28)29)15-25-27(21)18-5-2-1-3-6-18/h1-12,15,24H,13-14H2,(H,28,29)