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

Systemtic Name: 4-[5-azanyl-3-[(4-ethylpiperazin-1-yl)methyl]-4-phenyl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[5-amino-3-[(4-ethylpiperazin-1-yl)methyl]-4-phenyl-pyrazol-1-yl]benzoic acid CAS Name: 4-[5-amino-3-[(4-ethyl-1-piperazinyl)methyl]-4-phenyl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[5-amino-3-[(4-ethylpiperazin-1-yl)methyl]-4-phenylpyrazol-1-yl]benzoic acid Traditional Name: 4-[5-amino-3-[(4-ethylpiperazino)methyl]-4-phenyl-pyrazol-1-yl]benzoic acid Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H27N5O2/c1-2-26-12-14-27(15-13-26)16-20-21(17-6-4-3-5-7-17)22(24)28(25-20)19-10-8-18(9-11-19)23(29)30/h3-11H,2,12-16,24H2,1H3,(H,29,30)