N-[(1S)-1-cyclohexylethyl]-3-[(4-oxidanylidenepiperidin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-oxidanylidenepiperidin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-oxo-1-piperidyl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-oxo-1-piperidinyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-oxopiperidin-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-ketopiperidino)methyl]-2-phenyl-cinchoninamide Formula: C30H35N3O2 MolecularWeight: 469.6178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(=O)CC5

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(=O)CC5

InChI

InChI=1S/C30H35N3O2/c1-21(22-10-4-2-5-11-22)31-30(35)28-25-14-8-9-15-27(25)32-29(23-12-6-3-7-13-23)26(28)20-33-18-16-24(34)17-19-33/h3,6-9,12-15,21-22H,2,4-5,10-11,16-20H2,1H3,(H,31,35)/t21-/m0/s1