N-[(3S)-3-azanyl-4-fluoranyl-butyl]-N-[1-[5-(5-chloranyl-2-fluoranyl-phenyl)-2-(phenylmethyl)-1,2,4-triazol-3-yl]-2-methyl-propyl]-4-methyl-benzamide

Systemtic Name: N-[(3S)-3-azanyl-4-fluoranyl-butyl]-N-[1-[5-(5-chloranyl-2-fluoranyl-phenyl)-2-(phenylmethyl)-1,2,4-triazol-3-yl]-2-methyl-propyl]-4-methyl-benzamide Openeye Name: N-[(3S)-3-amino-4-fluoro-butyl]-N-[1-[2-benzyl-5-(5-chloro-2-fluoro-phenyl)-1,2,4-triazol-3-yl]-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-[(3S)-3-amino-4-fluorobutyl]-N-[1-[5-(5-chloro-2-fluorophenyl)-2-(phenylmethyl)-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methylbenzamide IUPAC Name: N-[(3S)-3-amino-4-fluorobutyl]-N-[1-[2-benzyl-5-(5-chloro-2-fluorophenyl)-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methylbenzamide Traditional Name: N-[(3S)-3-amino-4-fluoro-butyl]-N-[1-[2-benzyl-5-(5-chloro-2-fluoro-phenyl)-1,2,4-triazol-3-yl]-2-methyl-propyl]-4-methyl-benzamide Formula: C31H34ClF2N5O MolecularWeight: 566.084366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCC(CF)N)C(C2=NC(=NN2CC3=CC=CC=C3)C4=C(C=CC(=C4)Cl)F)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC[C@@H](CF)N)C(C2=NC(=NN2CC3=CC=CC=C3)C4=C(C=CC(=C4)Cl)F)C(C)C

InChI

InChI=1S/C31H34ClF2N5O/c1-20(2)28(38(16-15-25(35)18-33)31(40)23-11-9-21(3)10-12-23)30-36-29(26-17-24(32)13-14-27(26)34)37-39(30)19-22-7-5-4-6-8-22/h4-14,17,20,25,28H,15-16,18-19,35H2,1-3H3/t25-,28?/m0/s1