N-[(1S)-1-cyclohexylethyl]-3-[[methyl(oxan-4-ylcarbonyl)amino]methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl(oxan-4-ylcarbonyl)amino]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl(tetrahydropyran-4-carbonyl)amino]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl-[4-oxanyl(oxo)methyl]amino]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl(oxane-4-carbonyl)amino]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[methyl(tetrahydropyran-4-carbonyl)amino]methyl]-2-phenyl-cinchoninamide Formula: C32H39N3O3 MolecularWeight: 513.67036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN(C)C(=O)C5CCOCC5

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN(C)C(=O)C5CCOCC5

InChI

InChI=1S/C32H39N3O3/c1-22(23-11-5-3-6-12-23)33-31(36)29-26-15-9-10-16-28(26)34-30(24-13-7-4-8-14-24)27(29)21-35(2)32(37)25-17-19-38-20-18-25/h4,7-10,13-16,22-23,25H,3,5-6,11-12,17-21H2,1-2H3,(H,33,36)/t22-/m0/s1