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

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1-methyl-indol-3-yl)-6-[3-(cyclohexylmethylamino)prop-1-ynyl]quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-[3-(cyclohexylmethylamino)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-3-indolyl)-6-[3-(cyclohexylmethylamino)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1-methylindol-3-yl)-6-[3-(cyclohexylmethylamino)prop-1-ynyl]quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-6-[3-(cyclohexylmethylamino)prop-1-ynyl]cinchoninamide Formula: C31H34BrN5O MolecularWeight: 572.53856

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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#CCNCC5CCCCC5)C(=C3)C(=O)NCCN

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)C#CCNCC5CCCCC5)C(=C3)C(=O)NCCN

InChI

InChI=1S/C31H34BrN5O/c1-37-20-27(25-17-23(32)10-12-30(25)37)29-18-26(31(38)35-15-13-33)24-16-21(9-11-28(24)36-29)8-5-14-34-19-22-6-3-2-4-7-22/h9-12,16-18,20,22,34H,2-4,6-7,13-15,19,33H2,1H3,(H,35,38)