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

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-6-iodanyl-2-quinolin-3-yl-quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-6-iodo-2-(3-quinolyl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-6-iodo-2-(3-quinolinyl)-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-6-iodo-2-quinolin-3-ylquinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-6-iodo-2-(3-quinolyl)cinchoninamide Formula: C27H21IN4O MolecularWeight: 544.38631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C3=NC4=C(C=C(C=C4)I)C(=C3)C(=O)NCC5=CC=C(C=C5)CN

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C3=NC4=C(C=C(C=C4)I)C(=C3)C(=O)NCC5=CC=C(C=C5)CN

InChI

InChI=1S/C27H21IN4O/c28-21-9-10-25-22(12-21)23(27(33)31-15-18-7-5-17(14-29)6-8-18)13-26(32-25)20-11-19-3-1-2-4-24(19)30-16-20/h1-13,16H,14-15,29H2,(H,31,33)