3-[4-[6-[1-(triphenylmethyl)pyrazol-4-yl]quinazolin-4-yl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-[6-[1-(triphenylmethyl)pyrazol-4-yl]quinazolin-4-yl]piperazin-1-yl]benzoic acid Openeye Name: 3-[4-[6-(1-tritylpyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]benzoic acid CAS Name: 3-[4-[6-[1-(triphenylmethyl)-4-pyrazolyl]-4-quinazolinyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-[6-(1-tritylpyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]benzoic acid Traditional Name: 3-[4-[6-(1-tritylpyrazol-4-yl)quinazolin-4-yl]piperazino]benzoic acid Formula: C41H34N6O2 MolecularWeight: 642.74766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C3=NC=NC4=C3C=C(C=C4)C5=CN(N=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C3=NC=NC4=C3C=C(C=C4)C5=CN(N=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C41H34N6O2/c48-40(49)31-11-10-18-36(25-31)45-21-23-46(24-22-45)39-37-26-30(19-20-38(37)42-29-43-39)32-27-44-47(28-32)41(33-12-4-1-5-13-33,34-14-6-2-7-15-34)35-16-8-3-9-17-35/h1-20,25-29H,21-24H2,(H,48,49)