4-[bis[2-chloranyl-6-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]pyridin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[bis[2-chloranyl-6-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]pyridin-3-yl]methyl]benzoic acid Openeye Name: 4-[bis[2-chloro-6-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-3-pyridyl]methyl]benzoic acid CAS Name: 4-[bis[2-chloro-6-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-3-pyridinyl]methyl]benzoic acid IUPAC Name: 4-[bis[2-chloro-6-[(5-methyl-2-phenylpyrazol-3-yl)amino]pyridin-3-yl]methyl]benzoic acid Traditional Name: 4-[bis[2-chloro-6-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-3-pyridyl]methyl]benzoic acid Formula: C38H30Cl2N8O2 MolecularWeight: 701.6032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC2=NC(=C(C=C2)C(C3=CC=C(C=C3)C(=O)O)C4=C(N=C(C=C4)NC5=CC(=NN5C6=CC=CC=C6)C)Cl)Cl)C7=CC=CC=C7

Isomeric SMILES

CC1=NN(C(=C1)NC2=NC(=C(C=C2)C(C3=CC=C(C=C3)C(=O)O)C4=C(N=C(C=C4)NC5=CC(=NN5C6=CC=CC=C6)C)Cl)Cl)C7=CC=CC=C7

InChI

InChI=1S/C38H30Cl2N8O2/c1-23-21-33(47(45-23)27-9-5-3-6-10-27)41-31-19-17-29(36(39)43-31)35(25-13-15-26(16-14-25)38(49)50)30-18-20-32(44-37(30)40)42-34-22-24(2)46-48(34)28-11-7-4-8-12-28/h3-22,35H,1-2H3,(H,41,43)(H,42,44)(H,49,50)