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

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-6-bromanyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-6-bromo-2-(3-pyridyl)cinchoninamide Formula: C23H19BrN4O MolecularWeight: 447.32716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC=C(C=C4)CN

Isomeric SMILES

C1=CC(=CN=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC=C(C=C4)CN

InChI

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