N-[2-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-2-bromanyl-benzamide

Systemtic Name: N-[2-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-2-bromanyl-benzamide Openeye Name: N-[2-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-2-bromo-benzamide CAS Name: N-[2-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-2-bromobenzamide IUPAC Name: N-[2-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-2-bromobenzamide Traditional Name: N-[2-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]-2-bromo-benzamide Formula: C25H23BrN4O2 MolecularWeight: 491.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN(CCCN)C(=O)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C(=C1)CN(CCCN)C(=O)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C25H23BrN4O2/c26-22-8-3-2-7-21(22)24(31)29-23-9-4-1-6-20(23)17-30(15-5-14-27)25(32)19-12-10-18(16-28)11-13-19/h1-4,6-13H,5,14-15,17,27H2,(H,29,31)