N-[[3-(aminomethyl)phenyl]methyl]-6-bromanyl-2-thiophen-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-6-bromanyl-2-thiophen-3-yl-quinoline-4-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-6-bromo-2-(3-thienyl)quinoline-4-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-6-bromo-2-(3-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-6-bromo-2-thiophen-3-ylquinoline-4-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-6-bromo-2-(3-thienyl)cinchoninamide Formula: C22H18BrN3OS MolecularWeight: 452.36682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CSC=C4)CN

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CSC=C4)CN

InChI

InChI=1S/C22H18BrN3OS/c23-17-4-5-20-18(9-17)19(10-21(26-20)16-6-7-28-13-16)22(27)25-12-15-3-1-2-14(8-15)11-24/h1-10,13H,11-12,24H2,(H,25,27)