2-[[4-[(3-cyano-5-phenyl-pyridin-2-yl)amino]phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-[(3-cyano-5-phenyl-pyridin-2-yl)amino]phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-[(3-cyano-5-phenyl-2-pyridyl)amino]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-[(3-cyano-5-phenyl-2-pyridinyl)amino]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-[(3-cyano-5-phenylpyridin-2-yl)amino]benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-[(3-cyano-5-phenyl-2-pyridyl)amino]benzoyl]amino]ethyl-diethyl-ammonium Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC=C(C=C2C#N)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC2=NC=C(C=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C25H27N5O/c1-3-30(4-2)15-14-27-25(31)20-10-12-23(13-11-20)29-24-21(17-26)16-22(18-28-24)19-8-6-5-7-9-19/h5-13,16,18H,3-4,14-15H2,1-2H3,(H,27,31)(H,28,29)/p+1