4-bromanyl-N-[3-oxidanylidene-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-oxidanylidene-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide Openeye Name: 4-bromo-N-[3-oxo-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide CAS Name: 4-bromo-N-[3-oxo-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide IUPAC Name: 4-bromo-N-[3-oxo-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-[[4-(1,2,4-triazol-1-ylmethyl)benzyl]amino]propyl]benzamide Formula: C20H20BrN5O2 MolecularWeight: 442.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCNC(=O)C2=CC=C(C=C2)Br)CN3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCNC(=O)C2=CC=C(C=C2)Br)CN3C=NC=N3

InChI

InChI=1S/C20H20BrN5O2/c21-18-7-5-17(6-8-18)20(28)23-10-9-19(27)24-11-15-1-3-16(4-2-15)12-26-14-22-13-25-26/h1-8,13-14H,9-12H2,(H,23,28)(H,24,27)