N-[4-[[[3-(aminomethyl)phenyl]methyl-ethanoyl-amino]methyl]phenyl]-2-bromanyl-benzamide

Systemtic Name: N-[4-[[[3-(aminomethyl)phenyl]methyl-ethanoyl-amino]methyl]phenyl]-2-bromanyl-benzamide Openeye Name: N-[4-[[acetyl-[[3-(aminomethyl)phenyl]methyl]amino]methyl]phenyl]-2-bromo-benzamide CAS Name: N-[4-[[acetyl-[[3-(aminomethyl)phenyl]methyl]amino]methyl]phenyl]-2-bromobenzamide IUPAC Name: N-[4-[[acetyl-[[3-(aminomethyl)phenyl]methyl]amino]methyl]phenyl]-2-bromobenzamide Traditional Name: N-[4-[[acetyl-[3-(aminomethyl)benzyl]amino]methyl]phenyl]-2-bromo-benzamide Formula: C24H24BrN3O2 MolecularWeight: 466.37026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Br)CC3=CC=CC(=C3)CN

Isomeric SMILES

CC(=O)N(CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Br)CC3=CC=CC(=C3)CN

InChI

InChI=1S/C24H24BrN3O2/c1-17(29)28(16-20-6-4-5-19(13-20)14-26)15-18-9-11-21(12-10-18)27-24(30)22-7-2-3-8-23(22)25/h2-13H,14-16,26H2,1H3,(H,27,30)