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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-ketopiperazino)methyl]-2-phenyl-cinchoninamide Formula: C29H34N4O2 MolecularWeight: 470.60586

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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)CN5CCNC(=O)C5

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCNC(=O)C5

InChI

InChI=1S/C29H34N4O2/c1-20(21-10-4-2-5-11-21)31-29(35)27-23-14-8-9-15-25(23)32-28(22-12-6-3-7-13-22)24(27)18-33-17-16-30-26(34)19-33/h3,6-9,12-15,20-21H,2,4-5,10-11,16-19H2,1H3,(H,30,34)(H,31,35)/t20-/m0/s1