4-[bis(5-azanyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-2-methoxy-phenol

Systemtic Name: 4-[bis(5-azanyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-2-methoxy-phenol Openeye Name: 4-[bis(5-amino-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-2-methoxy-phenol CAS Name: 4-[bis(5-amino-3-methyl-1-phenyl-4-pyrazolyl)methyl]-2-methoxyphenol IUPAC Name: 4-[bis(5-amino-3-methyl-1-phenylpyrazol-4-yl)methyl]-2-methoxyphenol Traditional Name: 4-[bis(5-amino-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-2-methoxy-phenol Formula: C28H28N6O2 MolecularWeight: 480.56092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(C2=CC(=C(C=C2)O)OC)C3=C(N(N=C3C)C4=CC=CC=C4)N)N)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(C2=CC(=C(C=C2)O)OC)C3=C(N(N=C3C)C4=CC=CC=C4)N)N)C5=CC=CC=C5

InChI

InChI=1S/C28H28N6O2/c1-17-24(27(29)33(31-17)20-10-6-4-7-11-20)26(19-14-15-22(35)23(16-19)36-3)25-18(2)32-34(28(25)30)21-12-8-5-9-13-21/h4-16,26,35H,29-30H2,1-3H3