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

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-6-bromanyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-6-bromo-2-(4-pyridyl)cinchoninamide Formula: C23H19BrN4O MolecularWeight: 447.32716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC=C1CN)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C23H19BrN4O/c24-18-5-6-21-19(11-18)20(12-22(28-21)17-7-9-26-10-8-17)23(29)27-14-16-3-1-15(13-25)2-4-16/h1-12H,13-14,25H2,(H,27,29)