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

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]-2,2-dimethyl-propyl]morpholine-4-carboxamide 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]-2,2-dimethyl-propyl]morpholine-4-carboxamide CAS Name: N-[(3S)-3-amino-4-fluorobutyl]-N-[1-[5-(5-chloro-2-fluorophenyl)-2-(phenylmethyl)-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-4-morpholinecarboxamide IUPAC Name: N-[(3S)-3-amino-4-fluorobutyl]-N-[1-[2-benzyl-5-(5-chloro-2-fluorophenyl)-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]morpholine-4-carboxamide 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]-2,2-dimethyl-propyl]morpholine-4-carboxamide Formula: C29H37ClF2N6O2 MolecularWeight: 575.092886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=NC(=NN1CC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)F)N(CCC(CF)N)C(=O)N4CCOCC4

Isomeric SMILES

CC(C)(C)C(C1=NC(=NN1CC2=CC=CC=C2)C3=C(C=CC(=C3)Cl)F)N(CC[C@@H](CF)N)C(=O)N4CCOCC4

InChI

InChI=1S/C29H37ClF2N6O2/c1-29(2,3)25(37(12-11-22(33)18-31)28(39)36-13-15-40-16-14-36)27-34-26(23-17-21(30)9-10-24(23)32)35-38(27)19-20-7-5-4-6-8-20/h4-10,17,22,25H,11-16,18-19,33H2,1-3H3/t22-,25?/m0/s1