N-[[4-(aminomethyl)phenyl]methyl]-2-(5-phenylmethoxy-1H-indol-3-yl)quinoline-4-carboxamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-phenylmethoxy-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-benzyloxy-1H-indol-3-yl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-phenylmethoxy-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-phenylmethoxy-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(5-benzoxy-1H-indol-3-yl)cinchoninamide Formula: C33H28N4O2 MolecularWeight: 512.60102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C4=NC5=CC=CC=C5C(=C4)C(=O)NCC6=CC=C(C=C6)CN

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C4=NC5=CC=CC=C5C(=C4)C(=O)NCC6=CC=C(C=C6)CN

InChI

InChI=1S/C33H28N4O2/c34-18-22-10-12-23(13-11-22)19-36-33(38)28-17-32(37-31-9-5-4-8-26(28)31)29-20-35-30-15-14-25(16-27(29)30)39-21-24-6-2-1-3-7-24/h1-17,20,35H,18-19,21,34H2,(H,36,38)