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]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]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]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]benzamide 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]benzamide 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]benzamide Formula: C30H32ClF2N5O MolecularWeight: 552.057786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NC(=NN1CC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)F)N(CCC(CF)N)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=NC(=NN1CC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)F)N(CC[C@@H](CF)N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H32ClF2N5O/c1-20(2)27(37(16-15-24(34)18-32)30(39)22-11-7-4-8-12-22)29-35-28(25-17-23(31)13-14-26(25)33)36-38(29)19-21-9-5-3-6-10-21/h3-14,17,20,24,27H,15-16,18-19,34H2,1-2H3/t24-,27?/m0/s1