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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-morpholin-4-ylethyl)-3-oxidanylidene-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-morpholinoethyl)-3-oxo-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-[2-(4-morpholinyl)ethyl]-3-oxo-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-morpholin-4-ylethyl)-3-oxopiperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[3-keto-4-(2-morpholinoethyl)piperazino]methyl]-2-phenyl-cinchoninamide Formula: C35H45N5O3 MolecularWeight: 583.7635

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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)CN5CCN(C(=O)C5)CCN6CCOCC6

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(C(=O)C5)CCN6CCOCC6

InChI

InChI=1S/C35H45N5O3/c1-26(27-10-4-2-5-11-27)36-35(42)33-29-14-8-9-15-31(29)37-34(28-12-6-3-7-13-28)30(33)24-39-17-19-40(32(41)25-39)18-16-38-20-22-43-23-21-38/h3,6-9,12-15,26-27H,2,4-5,10-11,16-25H2,1H3,(H,36,42)/t26-/m0/s1