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

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1-methyl-indol-3-yl)-6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-3-indolyl)-6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1-methylindol-3-yl)-6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]cinchoninamide Formula: C33H30BrN5O MolecularWeight: 592.5282

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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#CCN5CCC6=CC=CC=C6C5)C(=C3)C(=O)NCCN

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)C#CCN5CCC6=CC=CC=C6C5)C(=C3)C(=O)NCCN

InChI

InChI=1S/C33H30BrN5O/c1-38-21-29(27-18-25(34)9-11-32(27)38)31-19-28(33(40)36-14-13-35)26-17-22(8-10-30(26)37-31)5-4-15-39-16-12-23-6-2-3-7-24(23)20-39/h2-3,6-11,17-19,21H,12-16,20,35H2,1H3,(H,36,40)