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

Systemtic Name: [(4-acetamido-3-benzamido-5-oxidanylidene-1-phenyl-pyrazol-4-yl)-phenyl-amino]-diethyl-methoxy-azanium Openeye Name: (N-(4-acetamido-3-benzamido-5-oxo-1-phenyl-pyrazol-4-yl)anilino)-diethyl-methoxy-ammonium CAS Name: (N-(4-acetamido-3-benzamido-5-oxo-1-phenyl-4-pyrazolyl)anilino)-diethyl-methoxyammonium IUPAC Name: (N-(4-acetamido-3-benzamido-5-oxo-1-phenylpyrazol-4-yl)anilino)-diethyl-methoxyazanium Traditional Name: (N-(4-acetamido-3-benzamido-5-keto-1-phenyl-2-pyrazolin-4-yl)anilino)-diethyl-methoxy-ammonium Formula: C29H33N6O4+ MolecularWeight: 529.61012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N6O4/c1-5-35(6-2,39-4)34(25-20-14-9-15-21-25)29(31-22(3)36)27(30-26(37)23-16-10-7-11-17-23)32-33(28(29)38)24-18-12-8-13-19-24/h7-21H,5-6H2,1-4H3,(H-,30,31,32,36,37)/p+1