4-(4-bromanylpyrazol-1-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide

Systemtic Name: 4-(4-bromanylpyrazol-1-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide Openeye Name: 4-(4-bromopyrazol-1-yl)-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]benzamide CAS Name: 4-(4-bromo-1-pyrazolyl)-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]benzamide IUPAC Name: 4-(4-bromopyrazol-1-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide Traditional Name: 4-(4-bromopyrazol-1-yl)-N-[4-(isopropylcarbamoylamino)benzyl]benzamide Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br

InChI

InChI=1S/C21H22BrN5O2/c1-14(2)25-21(29)26-18-7-3-15(4-8-18)11-23-20(28)16-5-9-19(10-6-16)27-13-17(22)12-24-27/h3-10,12-14H,11H2,1-2H3,(H,23,28)(H2,25,26,29)