1-(2-cyano-4-fluoranyl-phenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]urea

Systemtic Name: 1-(2-cyano-4-fluoranyl-phenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]urea Openeye Name: 1-(2-cyano-4-fluoro-phenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]urea CAS Name: 1-(2-cyano-4-fluorophenyl)-3-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]urea IUPAC Name: 1-(2-cyano-4-fluorophenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]urea Traditional Name: 1-(2-cyano-4-fluoro-phenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]urea Formula: C20H22FN4O2+ MolecularWeight: 369.412683

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=O)NC3=C(C=C(C=C3)F)C#N

Isomeric SMILES

C1COCC[NH+]1C[C@H](C2=CC=CC=C2)NC(=O)NC3=C(C=C(C=C3)F)C#N

InChI

InChI=1S/C20H21FN4O2/c21-17-6-7-18(16(12-17)13-22)23-20(26)24-19(15-4-2-1-3-5-15)14-25-8-10-27-11-9-25/h1-7,12,19H,8-11,14H2,(H2,23,24,26)/p+1/t19-/m1/s1