4-bromanyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide Openeye Name: 4-bromo-N-[(1S)-2-methyl-1-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]propyl]benzamide CAS Name: 4-bromo-N-[(2S)-3-methyl-1-oxo-1-[2-[4-(1-pyrazolyl)phenyl]ethylamino]butan-2-yl]benzamide IUPAC Name: 4-bromo-N-[(2S)-3-methyl-1-oxo-1-[2-(4-pyrazol-1-ylphenyl)ethylamino]butan-2-yl]benzamide Traditional Name: 4-bromo-N-[(1S)-2-methyl-1-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]propyl]benzamide Formula: C23H25BrN4O2 MolecularWeight: 469.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC=C(C=C1)N2C=CC=N2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC1=CC=C(C=C1)N2C=CC=N2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H25BrN4O2/c1-16(2)21(27-22(29)18-6-8-19(24)9-7-18)23(30)25-14-12-17-4-10-20(11-5-17)28-15-3-13-26-28/h3-11,13,15-16,21H,12,14H2,1-2H3,(H,25,30)(H,27,29)/t21-/m0/s1