N-(2-azanylethyl)-2-(5-bromanyl-1-methyl-indol-3-yl)-6-[3-(phenethylamino)prop-1-ynyl]quinoline-4-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1-methyl-indol-3-yl)-6-[3-(phenethylamino)prop-1-ynyl]quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-[3-(phenethylamino)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-3-indolyl)-6-[3-(phenethylamino)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1-methylindol-3-yl)-6-[3-(phenethylamino)prop-1-ynyl]quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-[3-(phenethylamino)prop-1-ynyl]cinchoninamide Formula: C32H30BrN5O MolecularWeight: 580.5175

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)C#CCNCCC5=CC=CC=C5)C(=C3)C(=O)NCCN

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)C#CCNCCC5=CC=CC=C5)C(=C3)C(=O)NCCN

InChI

InChI=1S/C32H30BrN5O/c1-38-21-28(26-19-24(33)10-12-31(26)38)30-20-27(32(39)36-17-14-34)25-18-23(9-11-29(25)37-30)8-5-15-35-16-13-22-6-3-2-4-7-22/h2-4,6-7,9-12,18-21,35H,13-17,34H2,1H3,(H,36,39)