5-azanyl-1-(4-bromophenyl)-N-[(2S)-2-phenylpropyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-(4-bromophenyl)-N-[(2S)-2-phenylpropyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(4-bromophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide CAS Name: 5-amino-1-(4-bromophenyl)-N-[(2S)-2-phenylpropyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-(4-bromophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide Traditional Name: 5-amino-1-(4-bromophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide Formula: C18H18BrN5O MolecularWeight: 400.27242

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)Br)N)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)Br)N)C3=CC=CC=C3

InChI

InChI=1S/C18H18BrN5O/c1-12(13-5-3-2-4-6-13)11-21-18(25)16-17(20)24(23-22-16)15-9-7-14(19)8-10-15/h2-10,12H,11,20H2,1H3,(H,21,25)/t12-/m1/s1