N-[[4-(aminomethyl)phenyl]methyl]-2-(1H-indol-3-yl)-6-iodanyl-quinoline-4-carboxamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(1H-indol-3-yl)-6-iodanyl-quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(1H-indol-3-yl)-6-iodo-quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(1H-indol-3-yl)-6-iodo-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(1H-indol-3-yl)-6-iodoquinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(1H-indol-3-yl)-6-iodo-cinchoninamide Formula: C26H21IN4O MolecularWeight: 532.37561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)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(=CN2)C3=NC4=C(C=C(C=C4)I)C(=C3)C(=O)NCC5=CC=C(C=C5)CN

InChI

InChI=1S/C26H21IN4O/c27-18-9-10-24-20(11-18)21(26(32)30-14-17-7-5-16(13-28)6-8-17)12-25(31-24)22-15-29-23-4-2-1-3-19(22)23/h1-12,15,29H,13-14,28H2,(H,30,32)