[(4-acetamido-3-benzamido-5-oxidanylidene-1-phenyl-pyrazol-4-yl)-phenyl-amino]-triethyl-azanium

Systemtic Name: [(4-acetamido-3-benzamido-5-oxidanylidene-1-phenyl-pyrazol-4-yl)-phenyl-amino]-triethyl-azanium Openeye Name: (N-(4-acetamido-3-benzamido-5-oxo-1-phenyl-pyrazol-4-yl)anilino)-triethyl-ammonium CAS Name: (N-(4-acetamido-3-benzamido-5-oxo-1-phenyl-4-pyrazolyl)anilino)-triethylammonium IUPAC Name: (N-(4-acetamido-3-benzamido-5-oxo-1-phenylpyrazol-4-yl)anilino)-triethylazanium Traditional Name: (N-(4-acetamido-3-benzamido-5-keto-1-phenyl-2-pyrazolin-4-yl)anilino)-triethyl-ammonium Formula: C30H35N6O3+ MolecularWeight: 527.6373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)N(C1=CC=CC=C1)C2(C(=NN(C2=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CC[N+](CC)(CC)N(C1=CC=CC=C1)C2(C(=NN(C2=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C30H34N6O3/c1-5-36(6-2,7-3)35(26-21-15-10-16-22-26)30(32-23(4)37)28(31-27(38)24-17-11-8-12-18-24)33-34(29(30)39)25-19-13-9-14-20-25/h8-22H,5-7H2,1-4H3,(H-,31,32,33,37,38)/p+1