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

Systemtic Name: 1-phenyl-5-[2-[[(phenylmethyl)amino]methyl]pyrrol-1-yl]pyrazole-4-carboxylic acid Openeye Name: 5-[2-[(benzylamino)methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-phenyl-5-[2-[[(phenylmethyl)amino]methyl]-1-pyrrolyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-[2-[(benzylamino)methyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-[2-[(benzylamino)methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=CC=CN2C3=C(C=NN3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=CC=CN2C3=C(C=NN3C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H20N4O2/c27-22(28)20-16-24-26(18-10-5-2-6-11-18)21(20)25-13-7-12-19(25)15-23-14-17-8-3-1-4-9-17/h1-13,16,23H,14-15H2,(H,27,28)