4-[2-(7-chloranyl-2-phenyl-pyrazolo[4,3-c]quinolin-4-yl)ethylamino]benzoic acid

Systemtic Name: 4-[2-(7-chloranyl-2-phenyl-pyrazolo[4,3-c]quinolin-4-yl)ethylamino]benzoic acid Openeye Name: 4-[2-(7-chloro-2-phenyl-pyrazolo[4,3-c]quinolin-4-yl)ethylamino]benzoic acid CAS Name: 4-[2-(7-chloro-2-phenyl-4-pyrazolo[4,3-c]quinolinyl)ethylamino]benzoic acid IUPAC Name: 4-[2-(7-chloro-2-phenylpyrazolo[4,3-c]quinolin-4-yl)ethylamino]benzoic acid Traditional Name: 4-[2-(7-chloro-2-phenyl-pyrazolo[4,3-c]quinolin-4-yl)ethylamino]benzoic acid Formula: C25H19ClN4O2 MolecularWeight: 442.89696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C3C(=NC4=C(C3=N2)C=CC(=C4)Cl)CCNC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C3C(=NC4=C(C3=N2)C=CC(=C4)Cl)CCNC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C25H19ClN4O2/c26-17-8-11-20-23(14-17)28-22(12-13-27-18-9-6-16(7-10-18)25(31)32)21-15-30(29-24(20)21)19-4-2-1-3-5-19/h1-11,14-15,27H,12-13H2,(H,31,32)