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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-ethyl-3-oxidanylidene-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-ethyl-3-oxo-piperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-ethyl-3-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-ethyl-3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-ethyl-3-keto-piperazino)methyl]-2-phenyl-cinchoninamide Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1=O)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)NC(C)C5CCCCC5

Isomeric SMILES

CCN1CCN(CC1=O)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)N[C@@H](C)C5CCCCC5

InChI

InChI=1S/C31H38N4O2/c1-3-35-19-18-34(21-28(35)36)20-26-29(31(37)32-22(2)23-12-6-4-7-13-23)25-16-10-11-17-27(25)33-30(26)24-14-8-5-9-15-24/h5,8-11,14-17,22-23H,3-4,6-7,12-13,18-21H2,1-2H3,(H,32,37)/t22-/m0/s1