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

Systemtic Name: N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-2-bromanyl-benzamide Openeye Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-2-bromo-benzamide CAS Name: N-[3-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-2-bromobenzamide IUPAC Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]-2-bromobenzamide Traditional Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-2-bromo-benzamide Formula: C25H22BrClN4O2 MolecularWeight: 525.82478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N)Br

InChI

InChI=1S/C25H22BrClN4O2/c26-22-5-2-1-4-21(22)24(32)30-20-10-11-23(27)19(14-20)16-31(13-3-12-28)25(33)18-8-6-17(15-29)7-9-18/h1-2,4-11,14H,3,12-13,16,28H2,(H,30,32)