3-[[2,5-bis(oxidanylidene)piperazin-1-yl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 3-[[2,5-bis(oxidanylidene)piperazin-1-yl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[(2,5-dioxopiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[(2,5-dioxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[(2,5-dioxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(2,5-diketopiperazino)methyl]-2-phenyl-cinchoninamide Formula: C29H32N4O3 MolecularWeight: 484.58938

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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)CN5CC(=O)NCC5=O

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CC(=O)NCC5=O

InChI

InChI=1S/C29H32N4O3/c1-19(20-10-4-2-5-11-20)31-29(36)27-22-14-8-9-15-24(22)32-28(21-12-6-3-7-13-21)23(27)17-33-18-25(34)30-16-26(33)35/h3,6-9,12-15,19-20H,2,4-5,10-11,16-18H2,1H3,(H,30,34)(H,31,36)/t19-/m0/s1