N-(2-cyclohexylpropan-2-yl)-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide

Systemtic Name: N-(2-cyclohexylpropan-2-yl)-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide Openeye Name: N-(1-cyclohexyl-1-methyl-ethyl)-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide CAS Name: N-(2-cyclohexylpropan-2-yl)-2-phenyl-3-(1-piperazinylmethyl)-4-quinolinecarboxamide IUPAC Name: N-(2-cyclohexylpropan-2-yl)-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide Traditional Name: N-(1-cyclohexyl-1-methyl-ethyl)-2-phenyl-3-(piperazinomethyl)cinchoninamide Formula: C30H38N4O MolecularWeight: 470.64892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCNCC5

Isomeric SMILES

CC(C)(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCNCC5

InChI

InChI=1S/C30H38N4O/c1-30(2,23-13-7-4-8-14-23)33-29(35)27-24-15-9-10-16-26(24)32-28(22-11-5-3-6-12-22)25(27)21-34-19-17-31-18-20-34/h3,5-6,9-12,15-16,23,31H,4,7-8,13-14,17-21H2,1-2H3,(H,33,35)