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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-hydroxyethyl)-3-oxidanylidene-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-hydroxyethyl)-3-oxo-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-hydroxyethyl)-3-oxo-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-hydroxyethyl)-3-keto-piperazino]methyl]-2-phenyl-cinchoninamide Formula: C31H38N4O3 MolecularWeight: 514.65842

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)CN5CCN(C(=O)C5)CCO

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(C(=O)C5)CCO

InChI

InChI=1S/C31H38N4O3/c1-22(23-10-4-2-5-11-23)32-31(38)29-25-14-8-9-15-27(25)33-30(24-12-6-3-7-13-24)26(29)20-34-16-17-35(18-19-36)28(37)21-34/h3,6-9,12-15,22-23,36H,2,4-5,10-11,16-21H2,1H3,(H,32,38)/t22-/m0/s1