N,N-dimethyl-2-[[3-[(5-pyridin-2-ylthiophen-2-yl)methylamino]cyclohexyl]amino]quinoline-4-carboxamide

Systemtic Name: N,N-dimethyl-2-[[3-[(5-pyridin-2-ylthiophen-2-yl)methylamino]cyclohexyl]amino]quinoline-4-carboxamide Openeye Name: N,N-dimethyl-2-[[3-[[5-(2-pyridyl)-2-thienyl]methylamino]cyclohexyl]amino]quinoline-4-carboxamide CAS Name: N,N-dimethyl-2-[[3-[[5-(2-pyridinyl)-2-thiophenyl]methylamino]cyclohexyl]amino]-4-quinolinecarboxamide IUPAC Name: N,N-dimethyl-2-[[3-[(5-pyridin-2-ylthiophen-2-yl)methylamino]cyclohexyl]amino]quinoline-4-carboxamide Traditional Name: N,N-dimethyl-2-[[3-[[5-(2-pyridyl)-2-thienyl]methylamino]cyclohexyl]amino]cinchoninamide Formula: C28H31N5OS MolecularWeight: 485.64364

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=NC2=CC=CC=C21)NC3CCCC(C3)NCC4=CC=C(S4)C5=CC=CC=N5

Isomeric SMILES

CN(C)C(=O)C1=CC(=NC2=CC=CC=C21)NC3CCCC(C3)NCC4=CC=C(S4)C5=CC=CC=N5

InChI

InChI=1S/C28H31N5OS/c1-33(2)28(34)23-17-27(32-24-11-4-3-10-22(23)24)31-20-9-7-8-19(16-20)30-18-21-13-14-26(35-21)25-12-5-6-15-29-25/h3-6,10-15,17,19-20,30H,7-9,16,18H2,1-2H3,(H,31,32)