4-[5-azanyl-3-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-azanyl-3-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[5-amino-3-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-pyrazol-1-yl]benzoic acid CAS Name: 4-[5-amino-3-[(4-methyl-1-piperazinyl)methyl]-4-phenyl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[5-amino-3-[(4-methylpiperazin-1-yl)methyl]-4-phenylpyrazol-1-yl]benzoic acid Traditional Name: 4-[5-amino-3-[(4-methylpiperazino)methyl]-4-phenyl-pyrazol-1-yl]benzoic acid Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H25N5O2/c1-25-11-13-26(14-12-25)15-19-20(16-5-3-2-4-6-16)21(23)27(24-19)18-9-7-17(8-10-18)22(28)29/h2-10H,11-15,23H2,1H3,(H,28,29)