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

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1-methyl-indol-3-yl)-6-[3-(2-dimethylaminoethylamino)prop-1-ynyl]quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-[3-(2-dimethylaminoethylamino)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-3-indolyl)-6-[3-(2-dimethylaminoethylamino)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1-methylindol-3-yl)-6-[3-(2-dimethylaminoethylamino)prop-1-ynyl]quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-[3-(2-dimethylaminoethylamino)prop-1-ynyl]cinchoninamide Formula: C28H31BrN6O MolecularWeight: 547.48934

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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#CCNCCN(C)C)C(=C3)C(=O)NCCN

Isomeric SMILES

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

InChI

InChI=1S/C28H31BrN6O/c1-34(2)14-13-31-11-4-5-19-6-8-25-21(15-19)23(28(36)32-12-10-30)17-26(33-25)24-18-35(3)27-9-7-20(29)16-22(24)27/h6-9,15-18,31H,10-14,30H2,1-3H3,(H,32,36)