1-[(2S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)-3-fluoranyl-butan-2-yl]-3-phenethyl-urea

Systemtic Name: 1-[(2S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)-3-fluoranyl-butan-2-yl]-3-phenethyl-urea Openeye Name: 1-[(1S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-2-fluoro-1-methyl-propyl]-3-phenethyl-urea CAS Name: 1-[(2S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)-3-fluorobutan-2-yl]-3-phenethylurea IUPAC Name: 1-[(2S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)-3-fluorobutan-2-yl]-3-phenethylurea Traditional Name: 1-[(1S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-2-fluoro-1-methyl-propyl]-3-phenethyl-urea Formula: C26H25ClFN3O MolecularWeight: 449.947603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)Cl)(C2=CC=CC(=C2)C#N)F)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(CC1=CC=C(C=C1)Cl)(C2=CC=CC(=C2)C#N)F)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H25ClFN3O/c1-19(31-25(32)30-15-14-20-6-3-2-4-7-20)26(28,17-21-10-12-24(27)13-11-21)23-9-5-8-22(16-23)18-29/h2-13,16,19H,14-15,17H2,1H3,(H2,30,31,32)/t19-,26?/m0/s1