4-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(4-chlorophenyl)-(2-pyridylamino)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(4-chlorophenyl)-(2-pyridinylamino)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(4-chlorophenyl)-(2-pyridylamino)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C23H21ClN4O MolecularWeight: 404.89204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)NC4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)NC4=CC=CC=N4

InChI

InChI=1S/C23H21ClN4O/c1-16-21(23(29)28(27(16)2)19-8-4-3-5-9-19)22(17-11-13-18(24)14-12-17)26-20-10-6-7-15-25-20/h3-15,22H,1-2H3,(H,25,26)