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

Systemtic Name: 3-[[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-[[4-(2-amino-2-oxo-ethyl)piperazin-1-yl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 3-[[4-(2-amino-2-oxoethyl)-1-piperazinyl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-[[4-(2-amino-2-keto-ethyl)piperazino]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-cinchoninamide Formula: C31H39N5O2 MolecularWeight: 513.67366

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(CC5)CC(=O)N

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)CC(=O)N

InChI

InChI=1S/C31H39N5O2/c1-22(23-10-4-2-5-11-23)33-31(38)29-25-14-8-9-15-27(25)34-30(24-12-6-3-7-13-24)26(29)20-35-16-18-36(19-17-35)21-28(32)37/h3,6-9,12-15,22-23H,2,4-5,10-11,16-21H2,1H3,(H2,32,37)(H,33,38)/t22-/m0/s1