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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-methyl-3,5-bis(oxidanylidene)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-methyl-3,5-dioxo-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-methyl-3,5-dioxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-methyl-3,5-dioxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(3,5-diketo-4-methyl-piperazino)methyl]-2-phenyl-cinchoninamide Formula: C30H34N4O3 MolecularWeight: 498.61596

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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)N(C(=O)C5)C

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CC(=O)N(C(=O)C5)C

InChI

InChI=1S/C30H34N4O3/c1-20(21-11-5-3-6-12-21)31-30(37)28-23-15-9-10-16-25(23)32-29(22-13-7-4-8-14-22)24(28)17-34-18-26(35)33(2)27(36)19-34/h4,7-10,13-16,20-21H,3,5-6,11-12,17-19H2,1-2H3,(H,31,37)/t20-/m0/s1