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

Systemtic Name: N-[[4-[(3-azanylpropanoylamino)methyl]phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: N-[[4-[(3-aminopropanoylamino)methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide CAS Name: N-[[4-[[(3-amino-1-oxopropyl)amino]methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-[[4-[(3-aminopropanoylamino)methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: N-[4-[(3-aminopropanoylamino)methyl]benzyl]-2-(5-bromo-1H-indol-3-yl)cinchoninamide Formula: C29H26BrN5O2 MolecularWeight: 556.45304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=C(C=C5)CNC(=O)CCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=C(C=C5)CNC(=O)CCN

InChI

InChI=1S/C29H26BrN5O2/c30-20-9-10-25-22(13-20)24(17-32-25)27-14-23(21-3-1-2-4-26(21)35-27)29(37)34-16-19-7-5-18(6-8-19)15-33-28(36)11-12-31/h1-10,13-14,17,32H,11-12,15-16,31H2,(H,33,36)(H,34,37)