4-bromanyl-N-[3-oxidanylidene-3-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-oxidanylidene-3-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide Openeye Name: 4-bromo-N-[3-oxo-3-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide CAS Name: 4-bromo-N-[3-oxo-3-[[4-(1-pyrazolylmethyl)phenyl]methylamino]propyl]benzamide IUPAC Name: 4-bromo-N-[3-oxo-3-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-[[4-(pyrazol-1-ylmethyl)benzyl]amino]propyl]benzamide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CC=C(C=C2)CNC(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)CNC(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O2/c22-19-8-6-18(7-9-19)21(28)23-12-10-20(27)24-14-16-2-4-17(5-3-16)15-26-13-1-11-25-26/h1-9,11,13H,10,12,14-15H2,(H,23,28)(H,24,27)