N-[(1S)-1-cyclohexylethyl]-6-fluoranyl-3-[[3-oxidanylidene-4-(3-oxidanylpropyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-6-fluoranyl-3-[[3-oxidanylidene-4-(3-oxidanylpropyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-6-fluoro-3-[[4-(3-hydroxypropyl)-3-oxo-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-6-fluoro-3-[[4-(3-hydroxypropyl)-3-oxo-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-6-fluoro-3-[[4-(3-hydroxypropyl)-3-oxopiperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-6-fluoro-3-[[4-(3-hydroxypropyl)-3-keto-piperazino]methyl]-2-phenyl-cinchoninamide Formula: C32H39FN4O3 MolecularWeight: 546.675463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C3C=C(C=CC3=NC(=C2CN4CCN(C(=O)C4)CCCO)C5=CC=CC=C5)F

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C3C=C(C=CC3=NC(=C2CN4CCN(C(=O)C4)CCCO)C5=CC=CC=C5)F

InChI

InChI=1S/C32H39FN4O3/c1-22(23-9-4-2-5-10-23)34-32(40)30-26-19-25(33)13-14-28(26)35-31(24-11-6-3-7-12-24)27(30)20-36-16-17-37(15-8-18-38)29(39)21-36/h3,6-7,11-14,19,22-23,38H,2,4-5,8-10,15-18,20-21H2,1H3,(H,34,40)/t22-/m0/s1