[[4-acetamido-3-[(2-chlorophenyl)amino]-5-oxidanylidene-1-phenyl-pyrazol-4-yl]-phenyl-amino]-diethyl-methyl-azanium

Systemtic Name: [[4-acetamido-3-[(2-chlorophenyl)amino]-5-oxidanylidene-1-phenyl-pyrazol-4-yl]-phenyl-amino]-diethyl-methyl-azanium Openeye Name: (N-[4-acetamido-3-(2-chloroanilino)-5-oxo-1-phenyl-pyrazol-4-yl]anilino)-diethyl-methyl-ammonium CAS Name: (N-[4-acetamido-3-(2-chloroanilino)-5-oxo-1-phenyl-4-pyrazolyl]anilino)-diethyl-methylammonium IUPAC Name: (N-[4-acetamido-3-(2-chloroanilino)-5-oxo-1-phenylpyrazol-4-yl]anilino)-diethyl-methylazanium Traditional Name: (N-[4-acetamido-3-(2-chloroanilino)-5-keto-1-phenyl-2-pyrazolin-4-yl]anilino)-diethyl-methyl-ammonium Formula: C28H32ClN6O2+ MolecularWeight: 520.04568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)N(C1=CC=CC=C1)C2(C(=NN(C2=O)C3=CC=CC=C3)NC4=CC=CC=C4Cl)NC(=O)C

Isomeric SMILES

CC[N+](C)(CC)N(C1=CC=CC=C1)C2(C(=NN(C2=O)C3=CC=CC=C3)NC4=CC=CC=C4Cl)NC(=O)C

InChI

InChI=1S/C28H31ClN6O2/c1-5-35(4,6-2)34(23-17-11-8-12-18-23)28(31-21(3)36)26(30-25-20-14-13-19-24(25)29)32-33(27(28)37)22-15-9-7-10-16-22/h7-20H,5-6H2,1-4H3,(H-,30,31,32,36)/p+1